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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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/Denv4_dominio2_RNAco-0e688fbb/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 172 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 172 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: 865
n_atoms_counter: 865
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 172.000000 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: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
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: 1
Temperature: 1.350000
Total energy: -2002.116434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.116434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.116434 (E_RNA)
where:
Base-Base interactions energy: -1385.497
where: short stacking energy: -581.086
Base-Backbone interact. energy: -0.465
local terms energy: -616.154357
where:
bonds (distance) C4'-P energy: -87.719
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -173.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -2003.732912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.732912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.732912 (E_RNA)
where:
Base-Base interactions energy: -1386.879
where: short stacking energy: -585.720
Base-Backbone interact. energy: -0.537
local terms energy: -616.316964
where:
bonds (distance) C4'-P energy: -92.912
bonds (distance) P-C4' energy: -134.377
flat angles C4'-P-C4' energy: -124.792
flat angles P-C4'-P energy: -90.315
tors. eta vs tors. theta energy: -173.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -2005.985238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.985238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.985238 (E_RNA)
where:
Base-Base interactions energy: -1388.456
where: short stacking energy: -586.422
Base-Backbone interact. energy: -0.537
local terms energy: -616.992504
where:
bonds (distance) C4'-P energy: -89.737
bonds (distance) P-C4' energy: -138.295
flat angles C4'-P-C4' energy: -125.012
flat angles P-C4'-P energy: -90.005
tors. eta vs tors. theta energy: -173.944
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: 2
Temperature: 1.000000
Total energy: -2003.952898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.952898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.952898 (E_RNA)
where:
Base-Base interactions energy: -1386.237
where: short stacking energy: -582.821
Base-Backbone interact. energy: -0.536
local terms energy: -617.179746
where:
bonds (distance) C4'-P energy: -89.517
bonds (distance) P-C4' energy: -139.902
flat angles C4'-P-C4' energy: -124.069
flat angles P-C4'-P energy: -89.315
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -2003.456731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.456731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.456731 (E_RNA)
where:
Base-Base interactions energy: -1386.454
where: short stacking energy: -586.019
Base-Backbone interact. energy: -0.536
local terms energy: -616.466965
where:
bonds (distance) C4'-P energy: -89.505
bonds (distance) P-C4' energy: -138.288
flat angles C4'-P-C4' energy: -125.111
flat angles P-C4'-P energy: -89.834
tors. eta vs tors. theta energy: -173.729
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -2004.900485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.900485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.900485 (E_RNA)
where:
Base-Base interactions energy: -1385.171
where: short stacking energy: -586.202
Base-Backbone interact. energy: -0.535
local terms energy: -619.194261
where:
bonds (distance) C4'-P energy: -91.037
bonds (distance) P-C4' energy: -140.275
flat angles C4'-P-C4' energy: -124.609
flat angles P-C4'-P energy: -89.388
tors. eta vs tors. theta energy: -173.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -2002.240930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.240930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.240930 (E_RNA)
where:
Base-Base interactions energy: -1386.349
where: short stacking energy: -586.012
Base-Backbone interact. energy: -0.535
local terms energy: -615.356826
where:
bonds (distance) C4'-P energy: -89.389
bonds (distance) P-C4' energy: -137.496
flat angles C4'-P-C4' energy: -124.968
flat angles P-C4'-P energy: -90.107
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -2000.389948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.389948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.389948 (E_RNA)
where:
Base-Base interactions energy: -1386.071
where: short stacking energy: -581.660
Base-Backbone interact. energy: -0.465
local terms energy: -613.853895
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -141.409
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -89.985
tors. eta vs tors. theta energy: -172.311
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: 2
Temperature: 1.250000
Total energy: -2000.387098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.387098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.387098 (E_RNA)
where:
Base-Base interactions energy: -1386.068
where: short stacking energy: -581.657
Base-Backbone interact. energy: -0.465
local terms energy: -613.853895
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -141.409
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -89.985
tors. eta vs tors. theta energy: -172.311
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -2000.178822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.178822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.178822 (E_RNA)
where:
Base-Base interactions energy: -1385.726
where: short stacking energy: -581.315
Base-Backbone interact. energy: -0.465
local terms energy: -613.987653
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -141.409
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -90.119
tors. eta vs tors. theta energy: -172.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -2000.176008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.176008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.176008 (E_RNA)
where:
Base-Base interactions energy: -1385.723
where: short stacking energy: -581.312
Base-Backbone interact. energy: -0.465
local terms energy: -613.987653
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -141.409
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -90.119
tors. eta vs tors. theta energy: -172.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1980.033487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.033487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.033487 (E_RNA)
where:
Base-Base interactions energy: -1389.725
where: short stacking energy: -591.723
Base-Backbone interact. energy: -1.457
local terms energy: -588.851926
where:
bonds (distance) C4'-P energy: -107.773
bonds (distance) P-C4' energy: -101.453
flat angles C4'-P-C4' energy: -127.126
flat angles P-C4'-P energy: -83.644
tors. eta vs tors. theta energy: -168.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1906.486198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.486198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.486198 (E_RNA)
where:
Base-Base interactions energy: -1342.583
where: short stacking energy: -560.982
Base-Backbone interact. energy: -2.810
local terms energy: -561.092637
where:
bonds (distance) C4'-P energy: -94.880
bonds (distance) P-C4' energy: -108.037
flat angles C4'-P-C4' energy: -123.232
flat angles P-C4'-P energy: -83.235
tors. eta vs tors. theta energy: -151.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1871.210816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.210816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.210816 (E_RNA)
where:
Base-Base interactions energy: -1305.661
where: short stacking energy: -564.902
Base-Backbone interact. energy: -2.311
local terms energy: -563.239489
where:
bonds (distance) C4'-P energy: -102.732
bonds (distance) P-C4' energy: -100.598
flat angles C4'-P-C4' energy: -120.930
flat angles P-C4'-P energy: -78.421
tors. eta vs tors. theta energy: -160.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1792.315170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.315170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.315170 (E_RNA)
where:
Base-Base interactions energy: -1286.144
where: short stacking energy: -530.594
Base-Backbone interact. energy: -4.169
local terms energy: -502.002196
where:
bonds (distance) C4'-P energy: -82.663
bonds (distance) P-C4' energy: -90.849
flat angles C4'-P-C4' energy: -114.401
flat angles P-C4'-P energy: -67.989
tors. eta vs tors. theta energy: -146.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1708.833767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.833767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.833767 (E_RNA)
where:
Base-Base interactions energy: -1185.676
where: short stacking energy: -504.397
Base-Backbone interact. energy: -2.416
local terms energy: -520.741731
where:
bonds (distance) C4'-P energy: -91.252
bonds (distance) P-C4' energy: -87.673
flat angles C4'-P-C4' energy: -113.237
flat angles P-C4'-P energy: -80.577
tors. eta vs tors. theta energy: -148.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1681.472360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.472360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.472360 (E_RNA)
where:
Base-Base interactions energy: -1174.091
where: short stacking energy: -479.105
Base-Backbone interact. energy: -3.330
local terms energy: -504.051267
where:
bonds (distance) C4'-P energy: -83.077
bonds (distance) P-C4' energy: -74.797
flat angles C4'-P-C4' energy: -124.604
flat angles P-C4'-P energy: -75.502
tors. eta vs tors. theta energy: -146.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1577.320121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.320121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.320121 (E_RNA)
where:
Base-Base interactions energy: -1096.518
where: short stacking energy: -425.998
Base-Backbone interact. energy: 1.032
local terms energy: -481.833617
where:
bonds (distance) C4'-P energy: -97.289
bonds (distance) P-C4' energy: -98.264
flat angles C4'-P-C4' energy: -103.320
flat angles P-C4'-P energy: -63.108
tors. eta vs tors. theta energy: -119.852
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1507.460470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.460470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.460470 (E_RNA)
where:
Base-Base interactions energy: -1068.811
where: short stacking energy: -439.521
Base-Backbone interact. energy: 4.520
local terms energy: -443.169456
where:
bonds (distance) C4'-P energy: -89.533
bonds (distance) P-C4' energy: -69.366
flat angles C4'-P-C4' energy: -100.347
flat angles P-C4'-P energy: -73.291
tors. eta vs tors. theta energy: -110.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1413.590532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.590532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.590532 (E_RNA)
where:
Base-Base interactions energy: -967.209
where: short stacking energy: -383.252
Base-Backbone interact. energy: 0.166
local terms energy: -446.547926
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -98.378
flat angles C4'-P-C4' energy: -93.551
flat angles P-C4'-P energy: -60.992
tors. eta vs tors. theta energy: -99.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1325.453663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.453663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.453663 (E_RNA)
where:
Base-Base interactions energy: -944.331
where: short stacking energy: -391.874
Base-Backbone interact. energy: 6.924
local terms energy: -388.046006
where:
bonds (distance) C4'-P energy: -82.325
bonds (distance) P-C4' energy: -91.569
flat angles C4'-P-C4' energy: -83.371
flat angles P-C4'-P energy: -50.580
tors. eta vs tors. theta energy: -80.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1934.895875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.895875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.895875 (E_RNA)
where:
Base-Base interactions energy: -1363.000
where: short stacking energy: -577.282
Base-Backbone interact. energy: 1.414
local terms energy: -573.309759
where:
bonds (distance) C4'-P energy: -111.654
bonds (distance) P-C4' energy: -96.915
flat angles C4'-P-C4' energy: -124.728
flat angles P-C4'-P energy: -78.180
tors. eta vs tors. theta energy: -161.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1930.654422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.654422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.654422 (E_RNA)
where:
Base-Base interactions energy: -1351.698
where: short stacking energy: -572.580
Base-Backbone interact. energy: 0.187
local terms energy: -579.142850
where:
bonds (distance) C4'-P energy: -97.920
bonds (distance) P-C4' energy: -107.999
flat angles C4'-P-C4' energy: -124.936
flat angles P-C4'-P energy: -80.716
tors. eta vs tors. theta energy: -167.573
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1857.210764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.210764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.210764 (E_RNA)
where:
Base-Base interactions energy: -1301.698
where: short stacking energy: -541.192
Base-Backbone interact. energy: -4.839
local terms energy: -550.673124
where:
bonds (distance) C4'-P energy: -99.346
bonds (distance) P-C4' energy: -102.608
flat angles C4'-P-C4' energy: -115.523
flat angles P-C4'-P energy: -83.254
tors. eta vs tors. theta energy: -149.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1803.912014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.912014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.912014 (E_RNA)
where:
Base-Base interactions energy: -1256.936
where: short stacking energy: -506.045
Base-Backbone interact. energy: 3.083
local terms energy: -550.058988
where:
bonds (distance) C4'-P energy: -91.253
bonds (distance) P-C4' energy: -109.372
flat angles C4'-P-C4' energy: -118.602
flat angles P-C4'-P energy: -87.843
tors. eta vs tors. theta energy: -142.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1678.508033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.508033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.508033 (E_RNA)
where:
Base-Base interactions energy: -1191.035
where: short stacking energy: -509.624
Base-Backbone interact. energy: 5.654
local terms energy: -493.126972
where:
bonds (distance) C4'-P energy: -91.550
bonds (distance) P-C4' energy: -94.901
flat angles C4'-P-C4' energy: -104.648
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -141.985
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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1613.861206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.861206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.861206 (E_RNA)
where:
Base-Base interactions energy: -1121.249
where: short stacking energy: -437.101
Base-Backbone interact. energy: -1.084
local terms energy: -491.528754
where:
bonds (distance) C4'-P energy: -105.499
bonds (distance) P-C4' energy: -94.224
flat angles C4'-P-C4' energy: -104.422
flat angles P-C4'-P energy: -77.770
tors. eta vs tors. theta energy: -109.614
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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1558.867381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.867381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.867381 (E_RNA)
where:
Base-Base interactions energy: -1086.784
where: short stacking energy: -459.840
Base-Backbone interact. energy: 2.713
local terms energy: -474.796073
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -93.320
flat angles C4'-P-C4' energy: -107.835
flat angles P-C4'-P energy: -67.439
tors. eta vs tors. theta energy: -110.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1501.955815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.955815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.955815 (E_RNA)
where:
Base-Base interactions energy: -1042.194
where: short stacking energy: -419.252
Base-Backbone interact. energy: 2.730
local terms energy: -462.492077
where:
bonds (distance) C4'-P energy: -69.467
bonds (distance) P-C4' energy: -94.431
flat angles C4'-P-C4' energy: -113.676
flat angles P-C4'-P energy: -74.480
tors. eta vs tors. theta energy: -110.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1402.464167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.464167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.464167 (E_RNA)
where:
Base-Base interactions energy: -962.046
where: short stacking energy: -408.632
Base-Backbone interact. energy: -1.426
local terms energy: -438.992761
where:
bonds (distance) C4'-P energy: -93.674
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -104.531
flat angles P-C4'-P energy: -62.127
tors. eta vs tors. theta energy: -103.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1164.626589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.626589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.626589 (E_RNA)
where:
Base-Base interactions energy: -821.124
where: short stacking energy: -357.526
Base-Backbone interact. energy: 3.325
local terms energy: -346.827300
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -100.275
flat angles C4'-P-C4' energy: -74.639
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -56.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1940.740487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.740487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.740487 (E_RNA)
where:
Base-Base interactions energy: -1368.101
where: short stacking energy: -568.597
Base-Backbone interact. energy: -3.759
local terms energy: -568.880119
where:
bonds (distance) C4'-P energy: -106.107
bonds (distance) P-C4' energy: -101.318
flat angles C4'-P-C4' energy: -119.516
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -157.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1923.219642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.219642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.219642 (E_RNA)
where:
Base-Base interactions energy: -1345.387
where: short stacking energy: -562.547
Base-Backbone interact. energy: -2.364
local terms energy: -575.468297
where:
bonds (distance) C4'-P energy: -101.201
bonds (distance) P-C4' energy: -110.610
flat angles C4'-P-C4' energy: -120.081
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -171.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1846.739757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.739757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.739757 (E_RNA)
where:
Base-Base interactions energy: -1288.936
where: short stacking energy: -542.761
Base-Backbone interact. energy: 1.942
local terms energy: -559.745408
where:
bonds (distance) C4'-P energy: -108.635
bonds (distance) P-C4' energy: -100.666
flat angles C4'-P-C4' energy: -122.575
flat angles P-C4'-P energy: -73.445
tors. eta vs tors. theta energy: -154.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1804.552567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.552567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.552567 (E_RNA)
where:
Base-Base interactions energy: -1255.571
where: short stacking energy: -525.878
Base-Backbone interact. energy: -4.848
local terms energy: -544.132936
where:
bonds (distance) C4'-P energy: -93.483
bonds (distance) P-C4' energy: -104.934
flat angles C4'-P-C4' energy: -108.316
flat angles P-C4'-P energy: -83.627
tors. eta vs tors. theta energy: -153.772
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1637.264258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.264258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.264258 (E_RNA)
where:
Base-Base interactions energy: -1148.985
where: short stacking energy: -489.549
Base-Backbone interact. energy: -3.455
local terms energy: -484.823624
where:
bonds (distance) C4'-P energy: -95.919
bonds (distance) P-C4' energy: -88.787
flat angles C4'-P-C4' energy: -102.911
flat angles P-C4'-P energy: -78.896
tors. eta vs tors. theta energy: -118.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1597.013659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.013659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.013659 (E_RNA)
where:
Base-Base interactions energy: -1118.229
where: short stacking energy: -482.559
Base-Backbone interact. energy: -1.878
local terms energy: -476.906375
where:
bonds (distance) C4'-P energy: -85.515
bonds (distance) P-C4' energy: -97.975
flat angles C4'-P-C4' energy: -108.567
flat angles P-C4'-P energy: -69.209
tors. eta vs tors. theta energy: -115.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1556.675929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.675929 (E_RNA)
where:
Base-Base interactions energy: -1081.124
where: short stacking energy: -454.424
Base-Backbone interact. energy: -2.418
local terms energy: -473.133844
where:
bonds (distance) C4'-P energy: -86.983
bonds (distance) P-C4' energy: -92.921
flat angles C4'-P-C4' energy: -107.992
flat angles P-C4'-P energy: -62.852
tors. eta vs tors. theta energy: -122.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1452.291599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.291599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.291599 (E_RNA)
where:
Base-Base interactions energy: -992.842
where: short stacking energy: -397.900
Base-Backbone interact. energy: -0.395
local terms energy: -459.054443
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -100.477
flat angles C4'-P-C4' energy: -96.030
flat angles P-C4'-P energy: -68.525
tors. eta vs tors. theta energy: -105.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1399.141078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.141078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.141078 (E_RNA)
where:
Base-Base interactions energy: -976.467
where: short stacking energy: -389.626
Base-Backbone interact. energy: -4.907
local terms energy: -417.767181
where:
bonds (distance) C4'-P energy: -94.346
bonds (distance) P-C4' energy: -107.268
flat angles C4'-P-C4' energy: -91.603
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -86.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1079.555391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.555391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.555391 (E_RNA)
where:
Base-Base interactions energy: -707.766
where: short stacking energy: -314.768
Base-Backbone interact. energy: 1.205
local terms energy: -372.994477
where:
bonds (distance) C4'-P energy: -74.249
bonds (distance) P-C4' energy: -85.060
flat angles C4'-P-C4' energy: -112.513
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1942.173609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.173609 (E_RNA)
where:
Base-Base interactions energy: -1360.932
where: short stacking energy: -572.964
Base-Backbone interact. energy: -3.830
local terms energy: -577.411576
where:
bonds (distance) C4'-P energy: -106.705
bonds (distance) P-C4' energy: -102.689
flat angles C4'-P-C4' energy: -127.158
flat angles P-C4'-P energy: -81.704
tors. eta vs tors. theta energy: -159.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1913.673209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.673209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.673209 (E_RNA)
where:
Base-Base interactions energy: -1337.862
where: short stacking energy: -567.338
Base-Backbone interact. energy: -3.432
local terms energy: -572.379520
where:
bonds (distance) C4'-P energy: -104.981
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -127.706
flat angles P-C4'-P energy: -75.456
tors. eta vs tors. theta energy: -164.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1831.562125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.562125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.562125 (E_RNA)
where:
Base-Base interactions energy: -1304.186
where: short stacking energy: -565.828
Base-Backbone interact. energy: -3.137
local terms energy: -524.238739
where:
bonds (distance) C4'-P energy: -100.306
bonds (distance) P-C4' energy: -97.751
flat angles C4'-P-C4' energy: -111.507
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -146.812
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: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1800.593608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.593608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.593608 (E_RNA)
where:
Base-Base interactions energy: -1241.396
where: short stacking energy: -542.855
Base-Backbone interact. energy: -1.411
local terms energy: -557.787170
where:
bonds (distance) C4'-P energy: -105.993
bonds (distance) P-C4' energy: -109.577
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -74.750
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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1644.223282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.223282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.223282 (E_RNA)
where:
Base-Base interactions energy: -1116.011
where: short stacking energy: -474.682
Base-Backbone interact. energy: -0.099
local terms energy: -528.112510
where:
bonds (distance) C4'-P energy: -98.440
bonds (distance) P-C4' energy: -102.620
flat angles C4'-P-C4' energy: -121.518
flat angles P-C4'-P energy: -75.473
tors. eta vs tors. theta energy: -130.061
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: 6
Temperature: 1.150000
Total energy: -1585.339708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.339708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.339708 (E_RNA)
where:
Base-Base interactions energy: -1115.633
where: short stacking energy: -462.964
Base-Backbone interact. energy: 0.106
local terms energy: -469.813388
where:
bonds (distance) C4'-P energy: -83.322
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -66.831
tors. eta vs tors. theta energy: -119.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1567.242572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.242572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.242572 (E_RNA)
where:
Base-Base interactions energy: -1102.184
where: short stacking energy: -434.563
Base-Backbone interact. energy: 2.755
local terms energy: -467.813499
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -90.581
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -64.503
tors. eta vs tors. theta energy: -110.108
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: 6
Temperature: 1.250000
Total energy: -1438.212701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.212701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.212701 (E_RNA)
where:
Base-Base interactions energy: -1009.528
where: short stacking energy: -409.169
Base-Backbone interact. energy: 4.154
local terms energy: -432.838779
where:
bonds (distance) C4'-P energy: -82.829
bonds (distance) P-C4' energy: -84.288
flat angles C4'-P-C4' energy: -100.968
flat angles P-C4'-P energy: -62.764
tors. eta vs tors. theta energy: -101.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1357.600355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.600355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.600355 (E_RNA)
where:
Base-Base interactions energy: -966.026
where: short stacking energy: -400.602
Base-Backbone interact. energy: -5.868
local terms energy: -385.706760
where:
bonds (distance) C4'-P energy: -70.644
bonds (distance) P-C4' energy: -71.106
flat angles C4'-P-C4' energy: -100.170
flat angles P-C4'-P energy: -58.352
tors. eta vs tors. theta energy: -85.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1037.917274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.917274 (E_RNA)
where:
Base-Base interactions energy: -683.498
where: short stacking energy: -296.198
Base-Backbone interact. energy: -2.638
local terms energy: -351.781664
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -85.195
flat angles C4'-P-C4' energy: -72.035
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -41.699
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1940.768450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.768450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.768450 (E_RNA)
where:
Base-Base interactions energy: -1358.992
where: short stacking energy: -565.393
Base-Backbone interact. energy: -3.304
local terms energy: -578.472221
where:
bonds (distance) C4'-P energy: -100.464
bonds (distance) P-C4' energy: -111.270
flat angles C4'-P-C4' energy: -127.078
flat angles P-C4'-P energy: -81.221
tors. eta vs tors. theta energy: -158.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1911.953808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.953808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.953808 (E_RNA)
where:
Base-Base interactions energy: -1333.621
where: short stacking energy: -577.884
Base-Backbone interact. energy: -1.672
local terms energy: -576.661202
where:
bonds (distance) C4'-P energy: -107.691
bonds (distance) P-C4' energy: -99.164
flat angles C4'-P-C4' energy: -122.986
flat angles P-C4'-P energy: -87.865
tors. eta vs tors. theta energy: -158.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1828.062412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.062412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.062412 (E_RNA)
where:
Base-Base interactions energy: -1285.111
where: short stacking energy: -543.351
Base-Backbone interact. energy: -0.146
local terms energy: -542.804788
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -97.926
flat angles C4'-P-C4' energy: -117.292
flat angles P-C4'-P energy: -72.656
tors. eta vs tors. theta energy: -153.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1761.343721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.343721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.343721 (E_RNA)
where:
Base-Base interactions energy: -1225.395
where: short stacking energy: -514.629
Base-Backbone interact. energy: -1.912
local terms energy: -534.036733
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -119.994
flat angles P-C4'-P energy: -70.207
tors. eta vs tors. theta energy: -140.823
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1593.715429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.715429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.715429 (E_RNA)
where:
Base-Base interactions energy: -1100.574
where: short stacking energy: -456.616
Base-Backbone interact. energy: -1.271
local terms energy: -491.870301
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -107.032
flat angles C4'-P-C4' energy: -108.404
flat angles P-C4'-P energy: -66.464
tors. eta vs tors. theta energy: -114.431
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: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1589.156206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.156206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.156206 (E_RNA)
where:
Base-Base interactions energy: -1103.944
where: short stacking energy: -464.692
Base-Backbone interact. energy: -3.590
local terms energy: -481.622369
where:
bonds (distance) C4'-P energy: -93.919
bonds (distance) P-C4' energy: -98.645
flat angles C4'-P-C4' energy: -97.023
flat angles P-C4'-P energy: -68.218
tors. eta vs tors. theta energy: -123.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1587.133325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.133325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.133325 (E_RNA)
where:
Base-Base interactions energy: -1136.396
where: short stacking energy: -455.721
Base-Backbone interact. energy: 0.590
local terms energy: -451.327122
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -94.040
flat angles C4'-P-C4' energy: -104.490
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: -110.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1453.180939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.180939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.180939 (E_RNA)
where:
Base-Base interactions energy: -1008.498
where: short stacking energy: -405.564
Base-Backbone interact. energy: -4.123
local terms energy: -440.560004
where:
bonds (distance) C4'-P energy: -82.968
bonds (distance) P-C4' energy: -88.427
flat angles C4'-P-C4' energy: -97.456
flat angles P-C4'-P energy: -71.733
tors. eta vs tors. theta energy: -99.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1332.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.963824 (E_RNA)
where:
Base-Base interactions energy: -933.610
where: short stacking energy: -378.905
Base-Backbone interact. energy: 2.830
local terms energy: -402.184386
where:
bonds (distance) C4'-P energy: -90.317
bonds (distance) P-C4' energy: -85.194
flat angles C4'-P-C4' energy: -87.436
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -84.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1073.955373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.955373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.955373 (E_RNA)
where:
Base-Base interactions energy: -700.351
where: short stacking energy: -323.061
Base-Backbone interact. energy: -2.143
local terms energy: -371.461477
where:
bonds (distance) C4'-P energy: -87.410
bonds (distance) P-C4' energy: -94.240
flat angles C4'-P-C4' energy: -76.800
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -51.976
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1934.359099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.359099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.359099 (E_RNA)
where:
Base-Base interactions energy: -1345.736
where: short stacking energy: -582.861
Base-Backbone interact. energy: -2.051
local terms energy: -586.571791
where:
bonds (distance) C4'-P energy: -93.318
bonds (distance) P-C4' energy: -113.855
flat angles C4'-P-C4' energy: -132.871
flat angles P-C4'-P energy: -80.812
tors. eta vs tors. theta energy: -165.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1882.091362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.091362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.091362 (E_RNA)
where:
Base-Base interactions energy: -1320.994
where: short stacking energy: -544.994
Base-Backbone interact. energy: -3.481
local terms energy: -557.616429
where:
bonds (distance) C4'-P energy: -93.760
bonds (distance) P-C4' energy: -112.192
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -79.064
tors. eta vs tors. theta energy: -152.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1814.001704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.001704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.001704 (E_RNA)
where:
Base-Base interactions energy: -1295.713
where: short stacking energy: -536.956
Base-Backbone interact. energy: -2.739
local terms energy: -515.549855
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -89.246
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -83.335
tors. eta vs tors. theta energy: -143.759
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1721.102400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.102400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.102400 (E_RNA)
where:
Base-Base interactions energy: -1197.738
where: short stacking energy: -494.745
Base-Backbone interact. energy: -3.026
local terms energy: -520.338114
where:
bonds (distance) C4'-P energy: -100.621
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -84.708
tors. eta vs tors. theta energy: -141.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1631.073093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.073093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.073093 (E_RNA)
where:
Base-Base interactions energy: -1143.884
where: short stacking energy: -490.596
Base-Backbone interact. energy: -0.230
local terms energy: -486.959880
where:
bonds (distance) C4'-P energy: -94.264
bonds (distance) P-C4' energy: -92.157
flat angles C4'-P-C4' energy: -104.935
flat angles P-C4'-P energy: -67.062
tors. eta vs tors. theta energy: -128.541
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1565.824199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.824199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.824199 (E_RNA)
where:
Base-Base interactions energy: -1085.167
where: short stacking energy: -447.855
Base-Backbone interact. energy: 1.321
local terms energy: -481.979010
where:
bonds (distance) C4'-P energy: -91.390
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -78.097
tors. eta vs tors. theta energy: -107.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1567.670527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.670527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.670527 (E_RNA)
where:
Base-Base interactions energy: -1089.753
where: short stacking energy: -450.520
Base-Backbone interact. energy: -2.430
local terms energy: -475.487575
where:
bonds (distance) C4'-P energy: -82.287
bonds (distance) P-C4' energy: -102.551
flat angles C4'-P-C4' energy: -104.468
flat angles P-C4'-P energy: -67.925
tors. eta vs tors. theta energy: -118.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1437.086732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.086732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.086732 (E_RNA)
where:
Base-Base interactions energy: -996.272
where: short stacking energy: -428.568
Base-Backbone interact. energy: -3.039
local terms energy: -437.776026
where:
bonds (distance) C4'-P energy: -67.291
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -98.819
flat angles P-C4'-P energy: -61.135
tors. eta vs tors. theta energy: -122.304
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1296.914564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.914564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.914564 (E_RNA)
where:
Base-Base interactions energy: -917.774
where: short stacking energy: -355.964
Base-Backbone interact. energy: 7.566
local terms energy: -386.706291
where:
bonds (distance) C4'-P energy: -79.853
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -94.665
flat angles P-C4'-P energy: -56.492
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1043.838093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.838093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.838093 (E_RNA)
where:
Base-Base interactions energy: -699.452
where: short stacking energy: -292.305
Base-Backbone interact. energy: -3.181
local terms energy: -341.205480
where:
bonds (distance) C4'-P energy: -81.167
bonds (distance) P-C4' energy: -85.679
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -64.977
tors. eta vs tors. theta energy: -38.224
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: 9
Temperature: 0.900000
Total energy: -1978.342781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.342781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.342781 (E_RNA)
where:
Base-Base interactions energy: -1375.371
where: short stacking energy: -576.818
Base-Backbone interact. energy: -4.129
local terms energy: -598.842151
where:
bonds (distance) C4'-P energy: -92.100
bonds (distance) P-C4' energy: -117.812
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -87.675
tors. eta vs tors. theta energy: -168.404
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: 9
Temperature: 0.950000
Total energy: -1916.214456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.214456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.214456 (E_RNA)
where:
Base-Base interactions energy: -1335.123
where: short stacking energy: -555.964
Base-Backbone interact. energy: 0.091
local terms energy: -581.182004
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -95.972
flat angles C4'-P-C4' energy: -124.839
flat angles P-C4'-P energy: -94.730
tors. eta vs tors. theta energy: -166.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1835.295154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.295154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.295154 (E_RNA)
where:
Base-Base interactions energy: -1290.950
where: short stacking energy: -527.596
Base-Backbone interact. energy: -3.451
local terms energy: -540.894436
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -103.884
flat angles C4'-P-C4' energy: -126.829
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: -148.460
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: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1725.579172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.579172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.579172 (E_RNA)
where:
Base-Base interactions energy: -1187.211
where: short stacking energy: -467.108
Base-Backbone interact. energy: -3.212
local terms energy: -535.156929
where:
bonds (distance) C4'-P energy: -104.299
bonds (distance) P-C4' energy: -97.397
flat angles C4'-P-C4' energy: -128.153
flat angles P-C4'-P energy: -69.403
tors. eta vs tors. theta energy: -135.906
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: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1646.330916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.330916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.330916 (E_RNA)
where:
Base-Base interactions energy: -1164.654
where: short stacking energy: -460.979
Base-Backbone interact. energy: -1.169
local terms energy: -480.508019
where:
bonds (distance) C4'-P energy: -88.273
bonds (distance) P-C4' energy: -91.565
flat angles C4'-P-C4' energy: -102.289
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: -119.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1543.505764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.505764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.505764 (E_RNA)
where:
Base-Base interactions energy: -1121.157
where: short stacking energy: -452.776
Base-Backbone interact. energy: 3.852
local terms energy: -426.200786
where:
bonds (distance) C4'-P energy: -79.780
bonds (distance) P-C4' energy: -88.269
flat angles C4'-P-C4' energy: -93.665
flat angles P-C4'-P energy: -57.068
tors. eta vs tors. theta energy: -107.419
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: 9
Temperature: 1.200000
Total energy: -1576.926392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.926392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.926392 (E_RNA)
where:
Base-Base interactions energy: -1096.690
where: short stacking energy: -465.626
Base-Backbone interact. energy: -1.693
local terms energy: -478.542760
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -91.578
flat angles C4'-P-C4' energy: -115.536
flat angles P-C4'-P energy: -62.670
tors. eta vs tors. theta energy: -122.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1472.387280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.387280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.387280 (E_RNA)
where:
Base-Base interactions energy: -1026.503
where: short stacking energy: -420.609
Base-Backbone interact. energy: -3.386
local terms energy: -442.498579
where:
bonds (distance) C4'-P energy: -89.478
bonds (distance) P-C4' energy: -86.450
flat angles C4'-P-C4' energy: -105.309
flat angles P-C4'-P energy: -52.995
tors. eta vs tors. theta energy: -108.267
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: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1322.914920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.914920 (E_RNA)
where:
Base-Base interactions energy: -902.752
where: short stacking energy: -361.063
Base-Backbone interact. energy: -0.534
local terms energy: -419.628164
where:
bonds (distance) C4'-P energy: -98.694
bonds (distance) P-C4' energy: -81.451
flat angles C4'-P-C4' energy: -97.849
flat angles P-C4'-P energy: -61.431
tors. eta vs tors. theta energy: -80.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1013.619180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.619180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.619180 (E_RNA)
where:
Base-Base interactions energy: -644.366
where: short stacking energy: -298.562
Base-Backbone interact. energy: 1.962
local terms energy: -371.214856
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -91.927
flat angles C4'-P-C4' energy: -86.021
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -63.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1969.171951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.171951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.171951 (E_RNA)
where:
Base-Base interactions energy: -1390.506
where: short stacking energy: -591.575
Base-Backbone interact. energy: -2.753
local terms energy: -575.912635
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -102.609
flat angles C4'-P-C4' energy: -125.157
flat angles P-C4'-P energy: -88.058
tors. eta vs tors. theta energy: -162.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1877.377650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.377650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.377650 (E_RNA)
where:
Base-Base interactions energy: -1333.154
where: short stacking energy: -554.134
Base-Backbone interact. energy: 0.134
local terms energy: -544.358106
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -97.297
flat angles C4'-P-C4' energy: -119.670
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -157.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1804.927254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.927254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.927254 (E_RNA)
where:
Base-Base interactions energy: -1271.440
where: short stacking energy: -533.121
Base-Backbone interact. energy: -3.793
local terms energy: -529.693711
where:
bonds (distance) C4'-P energy: -97.568
bonds (distance) P-C4' energy: -97.756
flat angles C4'-P-C4' energy: -112.583
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -144.345
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: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1744.605602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.605602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.605602 (E_RNA)
where:
Base-Base interactions energy: -1221.901
where: short stacking energy: -516.486
Base-Backbone interact. energy: -0.987
local terms energy: -521.717091
where:
bonds (distance) C4'-P energy: -94.996
bonds (distance) P-C4' energy: -97.916
flat angles C4'-P-C4' energy: -118.538
flat angles P-C4'-P energy: -77.270
tors. eta vs tors. theta energy: -132.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1665.128395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.128395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.128395 (E_RNA)
where:
Base-Base interactions energy: -1159.488
where: short stacking energy: -468.498
Base-Backbone interact. energy: -0.515
local terms energy: -505.125347
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -113.744
flat angles P-C4'-P energy: -75.496
tors. eta vs tors. theta energy: -127.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1561.287933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.287933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.287933 (E_RNA)
where:
Base-Base interactions energy: -1072.251
where: short stacking energy: -448.426
Base-Backbone interact. energy: -2.599
local terms energy: -486.438087
where:
bonds (distance) C4'-P energy: -96.767
bonds (distance) P-C4' energy: -91.663
flat angles C4'-P-C4' energy: -111.837
flat angles P-C4'-P energy: -70.127
tors. eta vs tors. theta energy: -116.043
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1527.780298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.780298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.780298 (E_RNA)
where:
Base-Base interactions energy: -1075.321
where: short stacking energy: -422.849
Base-Backbone interact. energy: 3.612
local terms energy: -456.070908
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -92.530
flat angles C4'-P-C4' energy: -104.311
flat angles P-C4'-P energy: -60.594
tors. eta vs tors. theta energy: -110.875
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: 10
Temperature: 1.250000
Total energy: -1490.177023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.177023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.177023 (E_RNA)
where:
Base-Base interactions energy: -1034.644
where: short stacking energy: -426.136
Base-Backbone interact. energy: 1.846
local terms energy: -457.378983
where:
bonds (distance) C4'-P energy: -101.352
bonds (distance) P-C4' energy: -90.543
flat angles C4'-P-C4' energy: -98.993
flat angles P-C4'-P energy: -56.524
tors. eta vs tors. theta energy: -109.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1336.596522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.596522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.596522 (E_RNA)
where:
Base-Base interactions energy: -908.205
where: short stacking energy: -384.791
Base-Backbone interact. energy: -2.972
local terms energy: -425.418884
where:
bonds (distance) C4'-P energy: -78.669
bonds (distance) P-C4' energy: -107.052
flat angles C4'-P-C4' energy: -98.020
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -94.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1032.952275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.952275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.952275 (E_RNA)
where:
Base-Base interactions energy: -665.732
where: short stacking energy: -294.041
Base-Backbone interact. energy: -0.413
local terms energy: -366.807485
where:
bonds (distance) C4'-P energy: -71.172
bonds (distance) P-C4' energy: -84.350
flat angles C4'-P-C4' energy: -100.322
flat angles P-C4'-P energy: -59.734
tors. eta vs tors. theta energy: -51.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1951.860119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.860119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.860119 (E_RNA)
where:
Base-Base interactions energy: -1345.695
where: short stacking energy: -580.289
Base-Backbone interact. energy: 0.041
local terms energy: -606.206260
where:
bonds (distance) C4'-P energy: -100.066
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -124.136
flat angles P-C4'-P energy: -104.752
tors. eta vs tors. theta energy: -169.135
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1841.174335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.174335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.174335 (E_RNA)
where:
Base-Base interactions energy: -1273.857
where: short stacking energy: -522.038
Base-Backbone interact. energy: -2.111
local terms energy: -565.206703
where:
bonds (distance) C4'-P energy: -107.726
bonds (distance) P-C4' energy: -115.956
flat angles C4'-P-C4' energy: -119.561
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -143.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1810.979818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.979818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.979818 (E_RNA)
where:
Base-Base interactions energy: -1280.238
where: short stacking energy: -529.585
Base-Backbone interact. energy: 2.316
local terms energy: -533.057142
where:
bonds (distance) C4'-P energy: -96.686
bonds (distance) P-C4' energy: -105.748
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -64.943
tors. eta vs tors. theta energy: -154.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1736.420282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.420282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.420282 (E_RNA)
where:
Base-Base interactions energy: -1230.795
where: short stacking energy: -511.525
Base-Backbone interact. energy: -2.882
local terms energy: -502.743129
where:
bonds (distance) C4'-P energy: -85.778
bonds (distance) P-C4' energy: -106.159
flat angles C4'-P-C4' energy: -112.629
flat angles P-C4'-P energy: -63.441
tors. eta vs tors. theta energy: -134.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1707.836605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.836605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.836605 (E_RNA)
where:
Base-Base interactions energy: -1197.965
where: short stacking energy: -501.711
Base-Backbone interact. energy: -2.304
local terms energy: -507.567992
where:
bonds (distance) C4'-P energy: -90.035
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -108.862
flat angles P-C4'-P energy: -73.684
tors. eta vs tors. theta energy: -134.819
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1539.311012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.311012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.311012 (E_RNA)
where:
Base-Base interactions energy: -1065.270
where: short stacking energy: -436.518
Base-Backbone interact. energy: -1.849
local terms energy: -472.192134
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -89.529
flat angles C4'-P-C4' energy: -101.429
flat angles P-C4'-P energy: -81.406
tors. eta vs tors. theta energy: -105.686
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: 11
Temperature: 1.200000
Total energy: -1515.233242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.233242 (E_RNA)
where:
Base-Base interactions energy: -1061.693
where: short stacking energy: -438.805
Base-Backbone interact. energy: -3.245
local terms energy: -450.294401
where:
bonds (distance) C4'-P energy: -79.461
bonds (distance) P-C4' energy: -80.888
flat angles C4'-P-C4' energy: -110.379
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: -112.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1487.223591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.223591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.223591 (E_RNA)
where:
Base-Base interactions energy: -1047.627
where: short stacking energy: -430.521
Base-Backbone interact. energy: -0.156
local terms energy: -439.441057
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -80.842
flat angles C4'-P-C4' energy: -114.440
flat angles P-C4'-P energy: -70.963
tors. eta vs tors. theta energy: -84.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1307.986324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.986324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.986324 (E_RNA)
where:
Base-Base interactions energy: -914.320
where: short stacking energy: -390.649
Base-Backbone interact. energy: 3.838
local terms energy: -397.505189
where:
bonds (distance) C4'-P energy: -67.583
bonds (distance) P-C4' energy: -98.478
flat angles C4'-P-C4' energy: -94.372
flat angles P-C4'-P energy: -56.633
tors. eta vs tors. theta energy: -80.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1090.121837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.121837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.121837 (E_RNA)
where:
Base-Base interactions energy: -726.147
where: short stacking energy: -323.551
Base-Backbone interact. energy: 5.701
local terms energy: -369.676275
where:
bonds (distance) C4'-P energy: -77.396
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -99.138
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -64.956
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: 12
Temperature: 0.900000
Total energy: -1952.979789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.979789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.979789 (E_RNA)
where:
Base-Base interactions energy: -1354.287
where: short stacking energy: -576.055
Base-Backbone interact. energy: -0.504
local terms energy: -598.189007
where:
bonds (distance) C4'-P energy: -101.728
bonds (distance) P-C4' energy: -106.265
flat angles C4'-P-C4' energy: -124.990
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -169.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1850.994363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.994363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.994363 (E_RNA)
where:
Base-Base interactions energy: -1291.622
where: short stacking energy: -542.616
Base-Backbone interact. energy: -3.498
local terms energy: -555.874381
where:
bonds (distance) C4'-P energy: -94.680
bonds (distance) P-C4' energy: -108.238
flat angles C4'-P-C4' energy: -108.748
flat angles P-C4'-P energy: -91.879
tors. eta vs tors. theta energy: -152.330
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: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1810.397974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.397974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.397974 (E_RNA)
where:
Base-Base interactions energy: -1268.179
where: short stacking energy: -551.106
Base-Backbone interact. energy: -3.330
local terms energy: -538.888526
where:
bonds (distance) C4'-P energy: -99.162
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -124.500
flat angles P-C4'-P energy: -83.438
tors. eta vs tors. theta energy: -144.241
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: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1755.546535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.546535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.546535 (E_RNA)
where:
Base-Base interactions energy: -1224.405
where: short stacking energy: -512.236
Base-Backbone interact. energy: -2.662
local terms energy: -528.480094
where:
bonds (distance) C4'-P energy: -99.306
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -120.138
flat angles P-C4'-P energy: -62.476
tors. eta vs tors. theta energy: -139.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1717.116496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.116496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.116496 (E_RNA)
where:
Base-Base interactions energy: -1192.483
where: short stacking energy: -500.071
Base-Backbone interact. energy: -0.616
local terms energy: -524.017328
where:
bonds (distance) C4'-P energy: -93.373
bonds (distance) P-C4' energy: -100.607
flat angles C4'-P-C4' energy: -118.513
flat angles P-C4'-P energy: -79.789
tors. eta vs tors. theta energy: -131.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1565.499760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.499760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.499760 (E_RNA)
where:
Base-Base interactions energy: -1089.815
where: short stacking energy: -447.137
Base-Backbone interact. energy: -1.944
local terms energy: -473.741283
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -81.570
flat angles C4'-P-C4' energy: -117.510
flat angles P-C4'-P energy: -67.590
tors. eta vs tors. theta energy: -110.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1559.627581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.627581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.627581 (E_RNA)
where:
Base-Base interactions energy: -1112.460
where: short stacking energy: -451.181
Base-Backbone interact. energy: -0.718
local terms energy: -446.448643
where:
bonds (distance) C4'-P energy: -88.633
bonds (distance) P-C4' energy: -86.755
flat angles C4'-P-C4' energy: -106.498
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -110.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1445.083832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.083832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.083832 (E_RNA)
where:
Base-Base interactions energy: -1020.093
where: short stacking energy: -428.793
Base-Backbone interact. energy: 1.914
local terms energy: -426.904405
where:
bonds (distance) C4'-P energy: -76.840
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -89.569
flat angles P-C4'-P energy: -69.217
tors. eta vs tors. theta energy: -103.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1264.317471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.317471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.317471 (E_RNA)
where:
Base-Base interactions energy: -922.059
where: short stacking energy: -364.987
Base-Backbone interact. energy: -1.082
local terms energy: -341.177136
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -77.347
flat angles C4'-P-C4' energy: -93.318
flat angles P-C4'-P energy: -52.326
tors. eta vs tors. theta energy: -67.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1036.850126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.850126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.850126 (E_RNA)
where:
Base-Base interactions energy: -660.421
where: short stacking energy: -275.917
Base-Backbone interact. energy: -1.240
local terms energy: -375.189101
where:
bonds (distance) C4'-P energy: -78.987
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -91.673
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -59.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1958.623189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.623189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.623189 (E_RNA)
where:
Base-Base interactions energy: -1380.027
where: short stacking energy: -578.349
Base-Backbone interact. energy: -1.373
local terms energy: -577.223461
where:
bonds (distance) C4'-P energy: -101.507
bonds (distance) P-C4' energy: -113.940
flat angles C4'-P-C4' energy: -128.732
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -164.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1859.791726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.791726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.791726 (E_RNA)
where:
Base-Base interactions energy: -1297.776
where: short stacking energy: -550.563
Base-Backbone interact. energy: -0.834
local terms energy: -561.181632
where:
bonds (distance) C4'-P energy: -113.342
bonds (distance) P-C4' energy: -108.709
flat angles C4'-P-C4' energy: -113.681
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -145.210
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: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1845.668691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.668691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.668691 (E_RNA)
where:
Base-Base interactions energy: -1304.300
where: short stacking energy: -534.054
Base-Backbone interact. energy: 0.512
local terms energy: -541.881149
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -97.327
flat angles C4'-P-C4' energy: -114.285
flat angles P-C4'-P energy: -78.071
tors. eta vs tors. theta energy: -161.630
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: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1743.138518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.138518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.138518 (E_RNA)
where:
Base-Base interactions energy: -1214.744
where: short stacking energy: -506.867
Base-Backbone interact. energy: -3.130
local terms energy: -525.264465
where:
bonds (distance) C4'-P energy: -100.945
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -113.982
flat angles P-C4'-P energy: -79.706
tors. eta vs tors. theta energy: -132.082
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: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1679.256701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.256701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.256701 (E_RNA)
where:
Base-Base interactions energy: -1202.031
where: short stacking energy: -498.634
Base-Backbone interact. energy: 1.385
local terms energy: -478.610907
where:
bonds (distance) C4'-P energy: -86.489
bonds (distance) P-C4' energy: -81.865
flat angles C4'-P-C4' energy: -120.950
flat angles P-C4'-P energy: -62.849
tors. eta vs tors. theta energy: -126.458
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: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1566.451131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.451131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.451131 (E_RNA)
where:
Base-Base interactions energy: -1086.741
where: short stacking energy: -455.125
Base-Backbone interact. energy: 0.291
local terms energy: -480.001256
where:
bonds (distance) C4'-P energy: -86.047
bonds (distance) P-C4' energy: -93.487
flat angles C4'-P-C4' energy: -113.457
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -113.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1543.038918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.038918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.038918 (E_RNA)
where:
Base-Base interactions energy: -1110.303
where: short stacking energy: -464.364
Base-Backbone interact. energy: -4.026
local terms energy: -428.710090
where:
bonds (distance) C4'-P energy: -69.913
bonds (distance) P-C4' energy: -89.368
flat angles C4'-P-C4' energy: -96.917
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -111.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1445.187797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.187797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.187797 (E_RNA)
where:
Base-Base interactions energy: -1007.741
where: short stacking energy: -410.922
Base-Backbone interact. energy: -1.063
local terms energy: -436.383944
where:
bonds (distance) C4'-P energy: -79.056
bonds (distance) P-C4' energy: -88.088
flat angles C4'-P-C4' energy: -102.944
flat angles P-C4'-P energy: -64.867
tors. eta vs tors. theta energy: -101.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1228.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.269730 (E_RNA)
where:
Base-Base interactions energy: -837.266
where: short stacking energy: -355.918
Base-Backbone interact. energy: -1.752
local terms energy: -389.251462
where:
bonds (distance) C4'-P energy: -74.710
bonds (distance) P-C4' energy: -94.990
flat angles C4'-P-C4' energy: -86.568
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -71.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1062.090394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.090394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.090394 (E_RNA)
where:
Base-Base interactions energy: -698.549
where: short stacking energy: -305.767
Base-Backbone interact. energy: -0.604
local terms energy: -362.937569
where:
bonds (distance) C4'-P energy: -76.816
bonds (distance) P-C4' energy: -94.421
flat angles C4'-P-C4' energy: -89.617
flat angles P-C4'-P energy: -51.151
tors. eta vs tors. theta energy: -50.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1962.123328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.123328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.123328 (E_RNA)
where:
Base-Base interactions energy: -1366.239
where: short stacking energy: -578.198
Base-Backbone interact. energy: -2.532
local terms energy: -593.352049
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -120.375
flat angles C4'-P-C4' energy: -122.154
flat angles P-C4'-P energy: -84.756
tors. eta vs tors. theta energy: -176.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1879.050231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.050231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.050231 (E_RNA)
where:
Base-Base interactions energy: -1322.452
where: short stacking energy: -561.117
Base-Backbone interact. energy: -1.048
local terms energy: -555.549953
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -92.844
flat angles C4'-P-C4' energy: -121.120
flat angles P-C4'-P energy: -86.642
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1824.251488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.251488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.251488 (E_RNA)
where:
Base-Base interactions energy: -1285.914
where: short stacking energy: -527.173
Base-Backbone interact. energy: -3.472
local terms energy: -534.866163
where:
bonds (distance) C4'-P energy: -91.756
bonds (distance) P-C4' energy: -97.337
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -150.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1723.010385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.010385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.010385 (E_RNA)
where:
Base-Base interactions energy: -1202.949
where: short stacking energy: -498.475
Base-Backbone interact. energy: 0.162
local terms energy: -520.224068
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -100.358
flat angles C4'-P-C4' energy: -118.886
flat angles P-C4'-P energy: -85.553
tors. eta vs tors. theta energy: -139.932
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: 14
Temperature: 1.100000
Total energy: -1702.345053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.345053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.345053 (E_RNA)
where:
Base-Base interactions energy: -1204.838
where: short stacking energy: -498.419
Base-Backbone interact. energy: -3.436
local terms energy: -494.071326
where:
bonds (distance) C4'-P energy: -88.631
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -125.040
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -138.668
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: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1583.291350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.291350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.291350 (E_RNA)
where:
Base-Base interactions energy: -1099.280
where: short stacking energy: -453.691
Base-Backbone interact. energy: -2.945
local terms energy: -481.066209
where:
bonds (distance) C4'-P energy: -94.130
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -109.062
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -124.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1557.274530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.274530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.274530 (E_RNA)
where:
Base-Base interactions energy: -1088.346
where: short stacking energy: -455.636
Base-Backbone interact. energy: 0.629
local terms energy: -469.557716
where:
bonds (distance) C4'-P energy: -74.671
bonds (distance) P-C4' energy: -101.256
flat angles C4'-P-C4' energy: -110.314
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: -124.970
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1429.321435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.321435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.321435 (E_RNA)
where:
Base-Base interactions energy: -995.302
where: short stacking energy: -407.940
Base-Backbone interact. energy: -2.023
local terms energy: -431.996537
where:
bonds (distance) C4'-P energy: -83.688
bonds (distance) P-C4' energy: -90.005
flat angles C4'-P-C4' energy: -95.579
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: -100.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1297.505097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.505097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.505097 (E_RNA)
where:
Base-Base interactions energy: -887.661
where: short stacking energy: -389.123
Base-Backbone interact. energy: -2.293
local terms energy: -407.551578
where:
bonds (distance) C4'-P energy: -94.676
bonds (distance) P-C4' energy: -82.181
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -72.512
tors. eta vs tors. theta energy: -88.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -978.980771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.980771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.980771 (E_RNA)
where:
Base-Base interactions energy: -673.072
where: short stacking energy: -293.625
Base-Backbone interact. energy: 2.663
local terms energy: -308.572304
where:
bonds (distance) C4'-P energy: -81.655
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -82.874
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -40.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1965.106525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.106525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.106525 (E_RNA)
where:
Base-Base interactions energy: -1378.041
where: short stacking energy: -593.972
Base-Backbone interact. energy: -0.256
local terms energy: -586.809389
where:
bonds (distance) C4'-P energy: -96.241
bonds (distance) P-C4' energy: -101.597
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -175.560
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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1856.938355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.938355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.938355 (E_RNA)
where:
Base-Base interactions energy: -1288.397
where: short stacking energy: -540.812
Base-Backbone interact. energy: -1.602
local terms energy: -566.939815
where:
bonds (distance) C4'-P energy: -108.369
bonds (distance) P-C4' energy: -100.342
flat angles C4'-P-C4' energy: -124.151
flat angles P-C4'-P energy: -86.745
tors. eta vs tors. theta energy: -147.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1819.585218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.585218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.585218 (E_RNA)
where:
Base-Base interactions energy: -1275.922
where: short stacking energy: -536.609
Base-Backbone interact. energy: -2.839
local terms energy: -540.824203
where:
bonds (distance) C4'-P energy: -103.003
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -69.429
tors. eta vs tors. theta energy: -151.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1704.707986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.707986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.707986 (E_RNA)
where:
Base-Base interactions energy: -1215.009
where: short stacking energy: -499.130
Base-Backbone interact. energy: -2.773
local terms energy: -486.926545
where:
bonds (distance) C4'-P energy: -90.562
bonds (distance) P-C4' energy: -87.609
flat angles C4'-P-C4' energy: -110.377
flat angles P-C4'-P energy: -73.167
tors. eta vs tors. theta energy: -125.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1690.119925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.119925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.119925 (E_RNA)
where:
Base-Base interactions energy: -1175.732
where: short stacking energy: -473.713
Base-Backbone interact. energy: 2.415
local terms energy: -516.803461
where:
bonds (distance) C4'-P energy: -107.421
bonds (distance) P-C4' energy: -87.250
flat angles C4'-P-C4' energy: -111.823
flat angles P-C4'-P energy: -76.177
tors. eta vs tors. theta energy: -134.133
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1614.629553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.629553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.629553 (E_RNA)
where:
Base-Base interactions energy: -1140.954
where: short stacking energy: -477.139
Base-Backbone interact. energy: -0.600
local terms energy: -473.075535
where:
bonds (distance) C4'-P energy: -71.414
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -124.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1555.139873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.139873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.139873 (E_RNA)
where:
Base-Base interactions energy: -1102.393
where: short stacking energy: -462.948
Base-Backbone interact. energy: -1.902
local terms energy: -450.845126
where:
bonds (distance) C4'-P energy: -72.202
bonds (distance) P-C4' energy: -83.278
flat angles C4'-P-C4' energy: -99.635
flat angles P-C4'-P energy: -68.027
tors. eta vs tors. theta energy: -127.703
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: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1444.697918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.697918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.697918 (E_RNA)
where:
Base-Base interactions energy: -990.756
where: short stacking energy: -401.457
Base-Backbone interact. energy: 1.715
local terms energy: -455.657514
where:
bonds (distance) C4'-P energy: -91.649
bonds (distance) P-C4' energy: -93.747
flat angles C4'-P-C4' energy: -101.242
flat angles P-C4'-P energy: -74.319
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: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1290.073146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.073146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.073146 (E_RNA)
where:
Base-Base interactions energy: -874.195
where: short stacking energy: -356.730
Base-Backbone interact. energy: -0.133
local terms energy: -415.745600
where:
bonds (distance) C4'-P energy: -86.734
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -94.456
flat angles P-C4'-P energy: -67.104
tors. eta vs tors. theta energy: -81.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1002.855902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.855902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.855902 (E_RNA)
where:
Base-Base interactions energy: -648.054
where: short stacking energy: -284.527
Base-Backbone interact. energy: -0.124
local terms energy: -354.678052
where:
bonds (distance) C4'-P energy: -84.006
bonds (distance) P-C4' energy: -85.587
flat angles C4'-P-C4' energy: -88.218
flat angles P-C4'-P energy: -58.919
tors. eta vs tors. theta energy: -37.949
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: 16
Temperature: 0.900000
Total energy: -1953.394896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.394896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.394896 (E_RNA)
where:
Base-Base interactions energy: -1356.530
where: short stacking energy: -569.226
Base-Backbone interact. energy: -6.542
local terms energy: -590.322220
where:
bonds (distance) C4'-P energy: -112.469
bonds (distance) P-C4' energy: -112.683
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -77.328
tors. eta vs tors. theta energy: -167.536
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: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1842.050007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.050007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.050007 (E_RNA)
where:
Base-Base interactions energy: -1286.106
where: short stacking energy: -535.163
Base-Backbone interact. energy: 3.365
local terms energy: -559.309203
where:
bonds (distance) C4'-P energy: -103.657
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -116.690
flat angles P-C4'-P energy: -86.261
tors. eta vs tors. theta energy: -145.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1846.365845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.365845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.365845 (E_RNA)
where:
Base-Base interactions energy: -1289.635
where: short stacking energy: -553.065
Base-Backbone interact. energy: -0.392
local terms energy: -556.338343
where:
bonds (distance) C4'-P energy: -102.962
bonds (distance) P-C4' energy: -108.657
flat angles C4'-P-C4' energy: -121.494
flat angles P-C4'-P energy: -69.527
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: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1725.544275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.544275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.544275 (E_RNA)
where:
Base-Base interactions energy: -1195.029
where: short stacking energy: -511.629
Base-Backbone interact. energy: -3.701
local terms energy: -526.814266
where:
bonds (distance) C4'-P energy: -100.619
bonds (distance) P-C4' energy: -106.189
flat angles C4'-P-C4' energy: -110.818
flat angles P-C4'-P energy: -65.695
tors. eta vs tors. theta energy: -143.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1661.804797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.804797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.804797 (E_RNA)
where:
Base-Base interactions energy: -1167.560
where: short stacking energy: -480.082
Base-Backbone interact. energy: 1.775
local terms energy: -496.020614
where:
bonds (distance) C4'-P energy: -82.309
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -113.412
flat angles P-C4'-P energy: -76.917
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: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1606.622836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.622836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.622836 (E_RNA)
where:
Base-Base interactions energy: -1120.146
where: short stacking energy: -473.789
Base-Backbone interact. energy: -0.579
local terms energy: -485.897056
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -76.375
flat angles C4'-P-C4' energy: -114.465
flat angles P-C4'-P energy: -73.028
tors. eta vs tors. theta energy: -117.781
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: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1538.417440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.417440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.417440 (E_RNA)
where:
Base-Base interactions energy: -1070.881
where: short stacking energy: -428.549
Base-Backbone interact. energy: 0.862
local terms energy: -468.398539
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -94.102
flat angles C4'-P-C4' energy: -109.704
flat angles P-C4'-P energy: -64.721
tors. eta vs tors. theta energy: -105.664
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1479.409741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.409741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.409741 (E_RNA)
where:
Base-Base interactions energy: -1025.795
where: short stacking energy: -438.403
Base-Backbone interact. energy: -2.298
local terms energy: -451.316837
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -72.420
tors. eta vs tors. theta energy: -116.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1236.350418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.350418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.350418 (E_RNA)
where:
Base-Base interactions energy: -848.698
where: short stacking energy: -344.308
Base-Backbone interact. energy: 1.300
local terms energy: -388.953149
where:
bonds (distance) C4'-P energy: -88.128
bonds (distance) P-C4' energy: -92.083
flat angles C4'-P-C4' energy: -91.310
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -69.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -981.686397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.686397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.686397 (E_RNA)
where:
Base-Base interactions energy: -639.817
where: short stacking energy: -272.978
Base-Backbone interact. energy: 3.758
local terms energy: -345.627766
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -85.055
flat angles C4'-P-C4' energy: -75.588
flat angles P-C4'-P energy: -56.113
tors. eta vs tors. theta energy: -40.714
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1976.184581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.184581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.184581 (E_RNA)
where:
Base-Base interactions energy: -1390.426
where: short stacking energy: -572.395
Base-Backbone interact. energy: -2.970
local terms energy: -582.789406
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -101.448
flat angles C4'-P-C4' energy: -123.254
flat angles P-C4'-P energy: -79.793
tors. eta vs tors. theta energy: -171.524
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1864.375680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.375680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.375680 (E_RNA)
where:
Base-Base interactions energy: -1295.283
where: short stacking energy: -535.298
Base-Backbone interact. energy: -1.618
local terms energy: -567.475009
where:
bonds (distance) C4'-P energy: -98.723
bonds (distance) P-C4' energy: -111.953
flat angles C4'-P-C4' energy: -116.699
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -156.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1857.937244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.937244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.937244 (E_RNA)
where:
Base-Base interactions energy: -1319.937
where: short stacking energy: -535.731
Base-Backbone interact. energy: -3.873
local terms energy: -534.126660
where:
bonds (distance) C4'-P energy: -93.638
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -115.008
flat angles P-C4'-P energy: -79.526
tors. eta vs tors. theta energy: -145.241
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: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1709.316051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.316051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.316051 (E_RNA)
where:
Base-Base interactions energy: -1196.249
where: short stacking energy: -490.208
Base-Backbone interact. energy: 1.029
local terms energy: -514.095620
where:
bonds (distance) C4'-P energy: -100.764
bonds (distance) P-C4' energy: -88.758
flat angles C4'-P-C4' energy: -115.646
flat angles P-C4'-P energy: -70.685
tors. eta vs tors. theta energy: -138.242
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: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1678.219973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.219973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.219973 (E_RNA)
where:
Base-Base interactions energy: -1170.426
where: short stacking energy: -453.628
Base-Backbone interact. energy: -2.142
local terms energy: -505.651665
where:
bonds (distance) C4'-P energy: -93.931
bonds (distance) P-C4' energy: -108.069
flat angles C4'-P-C4' energy: -113.590
flat angles P-C4'-P energy: -67.336
tors. eta vs tors. theta energy: -122.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1549.659982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.659982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.659982 (E_RNA)
where:
Base-Base interactions energy: -1085.754
where: short stacking energy: -447.598
Base-Backbone interact. energy: -1.174
local terms energy: -462.732388
where:
bonds (distance) C4'-P energy: -89.638
bonds (distance) P-C4' energy: -95.797
flat angles C4'-P-C4' energy: -91.725
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -120.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1543.052433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.052433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.052433 (E_RNA)
where:
Base-Base interactions energy: -1065.091
where: short stacking energy: -464.345
Base-Backbone interact. energy: -0.762
local terms energy: -477.198951
where:
bonds (distance) C4'-P energy: -95.134
bonds (distance) P-C4' energy: -81.499
flat angles C4'-P-C4' energy: -111.866
flat angles P-C4'-P energy: -64.031
tors. eta vs tors. theta energy: -124.669
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1462.235497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.235497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.235497 (E_RNA)
where:
Base-Base interactions energy: -1003.847
where: short stacking energy: -417.623
Base-Backbone interact. energy: 2.679
local terms energy: -461.067173
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -84.301
flat angles C4'-P-C4' energy: -108.814
flat angles P-C4'-P energy: -58.727
tors. eta vs tors. theta energy: -113.368
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: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1316.236907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.236907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.236907 (E_RNA)
where:
Base-Base interactions energy: -918.085
where: short stacking energy: -389.132
Base-Backbone interact. energy: 0.719
local terms energy: -398.870139
where:
bonds (distance) C4'-P energy: -84.019
bonds (distance) P-C4' energy: -78.655
flat angles C4'-P-C4' energy: -96.565
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -82.521
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -972.020773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.020773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.020773 (E_RNA)
where:
Base-Base interactions energy: -618.767
where: short stacking energy: -277.256
Base-Backbone interact. energy: -3.672
local terms energy: -349.582124
where:
bonds (distance) C4'-P energy: -70.785
bonds (distance) P-C4' energy: -94.627
flat angles C4'-P-C4' energy: -96.531
flat angles P-C4'-P energy: -39.264
tors. eta vs tors. theta energy: -48.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1967.104507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.104507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.104507 (E_RNA)
where:
Base-Base interactions energy: -1368.488
where: short stacking energy: -589.085
Base-Backbone interact. energy: 0.807
local terms energy: -599.424023
where:
bonds (distance) C4'-P energy: -98.835
bonds (distance) P-C4' energy: -110.942
flat angles C4'-P-C4' energy: -128.908
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -171.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1863.048592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.048592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.048592 (E_RNA)
where:
Base-Base interactions energy: -1302.840
where: short stacking energy: -562.333
Base-Backbone interact. energy: -0.507
local terms energy: -559.702323
where:
bonds (distance) C4'-P energy: -95.875
bonds (distance) P-C4' energy: -108.165
flat angles C4'-P-C4' energy: -123.007
flat angles P-C4'-P energy: -74.596
tors. eta vs tors. theta energy: -158.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1830.218445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.218445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.218445 (E_RNA)
where:
Base-Base interactions energy: -1293.340
where: short stacking energy: -544.727
Base-Backbone interact. energy: -1.168
local terms energy: -535.710692
where:
bonds (distance) C4'-P energy: -99.514
bonds (distance) P-C4' energy: -105.866
flat angles C4'-P-C4' energy: -121.764
flat angles P-C4'-P energy: -60.866
tors. eta vs tors. theta energy: -147.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1698.347470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.347470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.347470 (E_RNA)
where:
Base-Base interactions energy: -1198.183
where: short stacking energy: -483.596
Base-Backbone interact. energy: 1.306
local terms energy: -501.470533
where:
bonds (distance) C4'-P energy: -104.713
bonds (distance) P-C4' energy: -97.681
flat angles C4'-P-C4' energy: -106.641
flat angles P-C4'-P energy: -65.948
tors. eta vs tors. theta energy: -126.488
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1662.781096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.781096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.781096 (E_RNA)
where:
Base-Base interactions energy: -1199.967
where: short stacking energy: -487.394
Base-Backbone interact. energy: -1.303
local terms energy: -461.511373
where:
bonds (distance) C4'-P energy: -80.757
bonds (distance) P-C4' energy: -87.289
flat angles C4'-P-C4' energy: -111.771
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -113.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1597.142324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.142324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.142324 (E_RNA)
where:
Base-Base interactions energy: -1119.555
where: short stacking energy: -456.160
Base-Backbone interact. energy: -3.493
local terms energy: -474.094722
where:
bonds (distance) C4'-P energy: -96.773
bonds (distance) P-C4' energy: -92.527
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -68.198
tors. eta vs tors. theta energy: -108.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1539.027634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.027634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.027634 (E_RNA)
where:
Base-Base interactions energy: -1062.224
where: short stacking energy: -467.325
Base-Backbone interact. energy: -2.123
local terms energy: -474.680147
where:
bonds (distance) C4'-P energy: -101.744
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -114.107
flat angles P-C4'-P energy: -60.179
tors. eta vs tors. theta energy: -110.844
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1484.995895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.995895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.995895 (E_RNA)
where:
Base-Base interactions energy: -1018.157
where: short stacking energy: -432.847
Base-Backbone interact. energy: 3.170
local terms energy: -470.009234
where:
bonds (distance) C4'-P energy: -107.224
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -100.706
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -109.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1281.623749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.623749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.623749 (E_RNA)
where:
Base-Base interactions energy: -877.455
where: short stacking energy: -375.503
Base-Backbone interact. energy: -0.742
local terms energy: -403.427209
where:
bonds (distance) C4'-P energy: -91.152
bonds (distance) P-C4' energy: -91.298
flat angles C4'-P-C4' energy: -94.060
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -961.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.668855 (E_RNA)
where:
Base-Base interactions energy: -611.225
where: short stacking energy: -277.740
Base-Backbone interact. energy: -1.599
local terms energy: -348.845222
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -79.792
flat angles C4'-P-C4' energy: -88.526
flat angles P-C4'-P energy: -61.498
tors. eta vs tors. theta energy: -51.903
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: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1956.609529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.609529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.609529 (E_RNA)
where:
Base-Base interactions energy: -1365.758
where: short stacking energy: -575.495
Base-Backbone interact. energy: -3.609
local terms energy: -587.242087
where:
bonds (distance) C4'-P energy: -110.479
bonds (distance) P-C4' energy: -99.751
flat angles C4'-P-C4' energy: -128.324
flat angles P-C4'-P energy: -76.432
tors. eta vs tors. theta energy: -172.256
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: 19
Temperature: 0.950000
Total energy: -1858.177663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.177663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.177663 (E_RNA)
where:
Base-Base interactions energy: -1298.316
where: short stacking energy: -521.771
Base-Backbone interact. energy: -1.588
local terms energy: -558.273718
where:
bonds (distance) C4'-P energy: -98.377
bonds (distance) P-C4' energy: -116.333
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -150.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1811.250037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.250037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.250037 (E_RNA)
where:
Base-Base interactions energy: -1284.264
where: short stacking energy: -553.992
Base-Backbone interact. energy: 4.354
local terms energy: -531.339879
where:
bonds (distance) C4'-P energy: -87.837
bonds (distance) P-C4' energy: -109.005
flat angles C4'-P-C4' energy: -117.051
flat angles P-C4'-P energy: -78.610
tors. eta vs tors. theta energy: -138.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1742.283540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.283540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.283540 (E_RNA)
where:
Base-Base interactions energy: -1246.805
where: short stacking energy: -511.357
Base-Backbone interact. energy: 4.723
local terms energy: -500.201023
where:
bonds (distance) C4'-P energy: -71.530
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -108.945
flat angles P-C4'-P energy: -83.034
tors. eta vs tors. theta energy: -133.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1662.570567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.570567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.570567 (E_RNA)
where:
Base-Base interactions energy: -1166.695
where: short stacking energy: -471.574
Base-Backbone interact. energy: -3.774
local terms energy: -492.100871
where:
bonds (distance) C4'-P energy: -93.965
bonds (distance) P-C4' energy: -105.839
flat angles C4'-P-C4' energy: -106.401
flat angles P-C4'-P energy: -71.634
tors. eta vs tors. theta energy: -114.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1618.666471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.666471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.666471 (E_RNA)
where:
Base-Base interactions energy: -1159.888
where: short stacking energy: -463.025
Base-Backbone interact. energy: -1.848
local terms energy: -456.930988
where:
bonds (distance) C4'-P energy: -92.644
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -103.462
flat angles P-C4'-P energy: -63.926
tors. eta vs tors. theta energy: -116.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1548.212916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.212916 (E_RNA)
where:
Base-Base interactions energy: -1075.949
where: short stacking energy: -443.370
Base-Backbone interact. energy: -0.471
local terms energy: -471.793133
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -91.628
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -111.126
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: 19
Temperature: 1.250000
Total energy: -1443.748085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.748085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.748085 (E_RNA)
where:
Base-Base interactions energy: -1013.054
where: short stacking energy: -399.850
Base-Backbone interact. energy: -1.271
local terms energy: -429.423623
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -90.399
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -96.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1306.009960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.009960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.009960 (E_RNA)
where:
Base-Base interactions energy: -884.121
where: short stacking energy: -371.893
Base-Backbone interact. energy: -1.591
local terms energy: -420.297655
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -95.668
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -53.692
tors. eta vs tors. theta energy: -80.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -906.109553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.109553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.109553 (E_RNA)
where:
Base-Base interactions energy: -613.488
where: short stacking energy: -264.508
Base-Backbone interact. energy: 4.400
local terms energy: -297.021818
where:
bonds (distance) C4'-P energy: -68.287
bonds (distance) P-C4' energy: -89.967
flat angles C4'-P-C4' energy: -72.091
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -27.092
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: 20
Temperature: 0.900000
Total energy: -1964.661956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.661956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.661956 (E_RNA)
where:
Base-Base interactions energy: -1373.636
where: short stacking energy: -580.069
Base-Backbone interact. energy: 0.767
local terms energy: -591.793033
where:
bonds (distance) C4'-P energy: -103.543
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -119.893
flat angles P-C4'-P energy: -92.381
tors. eta vs tors. theta energy: -169.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1821.986926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.986926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.986926 (E_RNA)
where:
Base-Base interactions energy: -1271.547
where: short stacking energy: -527.415
Base-Backbone interact. energy: -3.169
local terms energy: -547.271855
where:
bonds (distance) C4'-P energy: -93.271
bonds (distance) P-C4' energy: -96.141
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -93.364
tors. eta vs tors. theta energy: -145.678
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: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1792.005265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.005265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.005265 (E_RNA)
where:
Base-Base interactions energy: -1253.308
where: short stacking energy: -533.977
Base-Backbone interact. energy: -3.413
local terms energy: -535.284121
where:
bonds (distance) C4'-P energy: -89.911
bonds (distance) P-C4' energy: -110.261
flat angles C4'-P-C4' energy: -123.086
flat angles P-C4'-P energy: -75.515
tors. eta vs tors. theta energy: -136.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1746.294917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.294917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.294917 (E_RNA)
where:
Base-Base interactions energy: -1228.479
where: short stacking energy: -511.922
Base-Backbone interact. energy: 5.967
local terms energy: -523.783346
where:
bonds (distance) C4'-P energy: -93.107
bonds (distance) P-C4' energy: -93.999
flat angles C4'-P-C4' energy: -121.084
flat angles P-C4'-P energy: -81.618
tors. eta vs tors. theta energy: -133.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1679.170821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.170821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.170821 (E_RNA)
where:
Base-Base interactions energy: -1159.809
where: short stacking energy: -490.442
Base-Backbone interact. energy: -3.974
local terms energy: -515.387617
where:
bonds (distance) C4'-P energy: -99.402
bonds (distance) P-C4' energy: -104.500
flat angles C4'-P-C4' energy: -99.660
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -132.644
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: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1623.586243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.586243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.586243 (E_RNA)
where:
Base-Base interactions energy: -1145.177
where: short stacking energy: -465.700
Base-Backbone interact. energy: -3.143
local terms energy: -475.266577
where:
bonds (distance) C4'-P energy: -84.548
bonds (distance) P-C4' energy: -98.216
flat angles C4'-P-C4' energy: -100.949
flat angles P-C4'-P energy: -64.927
tors. eta vs tors. theta energy: -126.627
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1563.085096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.085096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.085096 (E_RNA)
where:
Base-Base interactions energy: -1114.589
where: short stacking energy: -455.916
Base-Backbone interact. energy: -4.097
local terms energy: -444.399290
where:
bonds (distance) C4'-P energy: -72.797
bonds (distance) P-C4' energy: -91.394
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -68.336
tors. eta vs tors. theta energy: -109.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1414.113929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.113929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.113929 (E_RNA)
where:
Base-Base interactions energy: -993.645
where: short stacking energy: -392.836
Base-Backbone interact. energy: 5.019
local terms energy: -425.487784
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -94.589
flat angles C4'-P-C4' energy: -96.498
flat angles P-C4'-P energy: -58.038
tors. eta vs tors. theta energy: -91.706
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: 20
Temperature: 1.300000
Total energy: -1282.739638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.739638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.739638 (E_RNA)
where:
Base-Base interactions energy: -878.576
where: short stacking energy: -375.366
Base-Backbone interact. energy: 2.376
local terms energy: -406.539754
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -72.604
flat angles C4'-P-C4' energy: -93.500
flat angles P-C4'-P energy: -68.288
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: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -963.716926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.716926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.716926 (E_RNA)
where:
Base-Base interactions energy: -633.556
where: short stacking energy: -294.143
Base-Backbone interact. energy: 2.427
local terms energy: -332.588778
where:
bonds (distance) C4'-P energy: -69.323
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -93.437
flat angles P-C4'-P energy: -46.939
tors. eta vs tors. theta energy: -36.218
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: 21
Temperature: 0.900000
Total energy: -1968.316432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.316432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.316432 (E_RNA)
where:
Base-Base interactions energy: -1360.100
where: short stacking energy: -579.927
Base-Backbone interact. energy: 0.667
local terms energy: -608.882620
where:
bonds (distance) C4'-P energy: -113.018
bonds (distance) P-C4' energy: -110.624
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -89.270
tors. eta vs tors. theta energy: -167.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1846.220390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.220390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.220390 (E_RNA)
where:
Base-Base interactions energy: -1297.112
where: short stacking energy: -549.079
Base-Backbone interact. energy: -2.419
local terms energy: -546.689528
where:
bonds (distance) C4'-P energy: -103.928
bonds (distance) P-C4' energy: -98.131
flat angles C4'-P-C4' energy: -121.468
flat angles P-C4'-P energy: -73.004
tors. eta vs tors. theta energy: -150.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1826.654129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.654129 (E_RNA)
where:
Base-Base interactions energy: -1282.369
where: short stacking energy: -533.964
Base-Backbone interact. energy: -2.010
local terms energy: -542.274441
where:
bonds (distance) C4'-P energy: -107.982
bonds (distance) P-C4' energy: -99.462
flat angles C4'-P-C4' energy: -121.889
flat angles P-C4'-P energy: -73.203
tors. eta vs tors. theta energy: -139.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1730.448723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.448723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.448723 (E_RNA)
where:
Base-Base interactions energy: -1221.618
where: short stacking energy: -511.531
Base-Backbone interact. energy: 4.529
local terms energy: -513.360481
where:
bonds (distance) C4'-P energy: -100.950
bonds (distance) P-C4' energy: -91.998
flat angles C4'-P-C4' energy: -105.110
flat angles P-C4'-P energy: -82.062
tors. eta vs tors. theta energy: -133.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1647.046637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.046637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.046637 (E_RNA)
where:
Base-Base interactions energy: -1157.164
where: short stacking energy: -501.335
Base-Backbone interact. energy: 0.665
local terms energy: -490.547846
where:
bonds (distance) C4'-P energy: -84.068
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -100.519
flat angles P-C4'-P energy: -68.405
tors. eta vs tors. theta energy: -136.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1587.350267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.350267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.350267 (E_RNA)
where:
Base-Base interactions energy: -1113.734
where: short stacking energy: -447.471
Base-Backbone interact. energy: 0.066
local terms energy: -473.682381
where:
bonds (distance) C4'-P energy: -83.153
bonds (distance) P-C4' energy: -98.281
flat angles C4'-P-C4' energy: -106.687
flat angles P-C4'-P energy: -63.403
tors. eta vs tors. theta energy: -122.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1541.476518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.476518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.476518 (E_RNA)
where:
Base-Base interactions energy: -1116.758
where: short stacking energy: -453.694
Base-Backbone interact. energy: -4.100
local terms energy: -420.618692
where:
bonds (distance) C4'-P energy: -76.628
bonds (distance) P-C4' energy: -86.347
flat angles C4'-P-C4' energy: -90.934
flat angles P-C4'-P energy: -61.233
tors. eta vs tors. theta energy: -105.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1407.714325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.714325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.714325 (E_RNA)
where:
Base-Base interactions energy: -998.631
where: short stacking energy: -414.028
Base-Backbone interact. energy: -0.170
local terms energy: -408.913097
where:
bonds (distance) C4'-P energy: -73.835
bonds (distance) P-C4' energy: -86.373
flat angles C4'-P-C4' energy: -103.381
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -89.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1294.628118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.628118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.628118 (E_RNA)
where:
Base-Base interactions energy: -898.736
where: short stacking energy: -361.610
Base-Backbone interact. energy: 1.558
local terms energy: -397.450623
where:
bonds (distance) C4'-P energy: -73.616
bonds (distance) P-C4' energy: -88.371
flat angles C4'-P-C4' energy: -93.009
flat angles P-C4'-P energy: -68.880
tors. eta vs tors. theta energy: -73.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -960.694023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.694023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.694023 (E_RNA)
where:
Base-Base interactions energy: -611.674
where: short stacking energy: -276.064
Base-Backbone interact. energy: -0.237
local terms energy: -348.783052
where:
bonds (distance) C4'-P energy: -82.898
bonds (distance) P-C4' energy: -102.015
flat angles C4'-P-C4' energy: -75.876
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -39.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1969.737820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.737820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.737820 (E_RNA)
where:
Base-Base interactions energy: -1390.053
where: short stacking energy: -577.157
Base-Backbone interact. energy: -3.292
local terms energy: -576.392178
where:
bonds (distance) C4'-P energy: -97.458
bonds (distance) P-C4' energy: -103.945
flat angles C4'-P-C4' energy: -127.785
flat angles P-C4'-P energy: -82.658
tors. eta vs tors. theta energy: -164.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1829.649429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.649429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.649429 (E_RNA)
where:
Base-Base interactions energy: -1287.727
where: short stacking energy: -519.572
Base-Backbone interact. energy: -3.992
local terms energy: -537.929541
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -111.521
flat angles P-C4'-P energy: -67.579
tors. eta vs tors. theta energy: -146.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1822.648047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.648047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.648047 (E_RNA)
where:
Base-Base interactions energy: -1291.390
where: short stacking energy: -558.125
Base-Backbone interact. energy: -1.143
local terms energy: -530.114775
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -103.567
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -73.940
tors. eta vs tors. theta energy: -145.933
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: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1702.441043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.441043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.441043 (E_RNA)
where:
Base-Base interactions energy: -1181.402
where: short stacking energy: -498.583
Base-Backbone interact. energy: 1.063
local terms energy: -522.101955
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -102.802
flat angles C4'-P-C4' energy: -111.608
flat angles P-C4'-P energy: -77.780
tors. eta vs tors. theta energy: -127.223
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1653.651953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.651953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.651953 (E_RNA)
where:
Base-Base interactions energy: -1150.949
where: short stacking energy: -445.304
Base-Backbone interact. energy: -0.166
local terms energy: -502.536878
where:
bonds (distance) C4'-P energy: -96.671
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -116.514
flat angles P-C4'-P energy: -74.690
tors. eta vs tors. theta energy: -109.358
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1602.592031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.592031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.592031 (E_RNA)
where:
Base-Base interactions energy: -1105.239
where: short stacking energy: -459.215
Base-Backbone interact. energy: -0.924
local terms energy: -496.429091
where:
bonds (distance) C4'-P energy: -94.473
bonds (distance) P-C4' energy: -103.191
flat angles C4'-P-C4' energy: -104.317
flat angles P-C4'-P energy: -68.939
tors. eta vs tors. theta energy: -125.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1525.520908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.520908 (E_RNA)
where:
Base-Base interactions energy: -1071.115
where: short stacking energy: -412.700
Base-Backbone interact. energy: 3.256
local terms energy: -457.662371
where:
bonds (distance) C4'-P energy: -77.460
bonds (distance) P-C4' energy: -101.696
flat angles C4'-P-C4' energy: -101.718
flat angles P-C4'-P energy: -70.921
tors. eta vs tors. theta energy: -105.868
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1398.864474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.864474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.864474 (E_RNA)
where:
Base-Base interactions energy: -955.717
where: short stacking energy: -401.546
Base-Backbone interact. energy: -1.249
local terms energy: -441.898164
where:
bonds (distance) C4'-P energy: -90.362
bonds (distance) P-C4' energy: -84.208
flat angles C4'-P-C4' energy: -111.538
flat angles P-C4'-P energy: -56.772
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1262.408705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.408705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.408705 (E_RNA)
where:
Base-Base interactions energy: -857.776
where: short stacking energy: -358.508
Base-Backbone interact. energy: -3.046
local terms energy: -401.586355
where:
bonds (distance) C4'-P energy: -86.450
bonds (distance) P-C4' energy: -94.762
flat angles C4'-P-C4' energy: -91.197
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -74.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -888.892596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.892596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.892596 (E_RNA)
where:
Base-Base interactions energy: -580.749
where: short stacking energy: -249.757
Base-Backbone interact. energy: -0.321
local terms energy: -307.823468
where:
bonds (distance) C4'-P energy: -82.287
bonds (distance) P-C4' energy: -88.312
flat angles C4'-P-C4' energy: -85.796
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -19.668
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: 23
Temperature: 0.900000
Total energy: -1962.452193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.452193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.452193 (E_RNA)
where:
Base-Base interactions energy: -1376.987
where: short stacking energy: -578.485
Base-Backbone interact. energy: -0.080
local terms energy: -585.384626
where:
bonds (distance) C4'-P energy: -96.227
bonds (distance) P-C4' energy: -107.132
flat angles C4'-P-C4' energy: -126.233
flat angles P-C4'-P energy: -82.825
tors. eta vs tors. theta energy: -172.968
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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1827.530556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.530556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.530556 (E_RNA)
where:
Base-Base interactions energy: -1275.767
where: short stacking energy: -533.640
Base-Backbone interact. energy: 0.361
local terms energy: -552.124775
where:
bonds (distance) C4'-P energy: -116.960
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -122.582
flat angles P-C4'-P energy: -69.727
tors. eta vs tors. theta energy: -136.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1841.671420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.671420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.671420 (E_RNA)
where:
Base-Base interactions energy: -1299.615
where: short stacking energy: -548.129
Base-Backbone interact. energy: -3.636
local terms energy: -538.420856
where:
bonds (distance) C4'-P energy: -101.030
bonds (distance) P-C4' energy: -99.948
flat angles C4'-P-C4' energy: -112.530
flat angles P-C4'-P energy: -78.868
tors. eta vs tors. theta energy: -146.045
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1775.654434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.654434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.654434 (E_RNA)
where:
Base-Base interactions energy: -1232.098
where: short stacking energy: -522.497
Base-Backbone interact. energy: -2.405
local terms energy: -541.151533
where:
bonds (distance) C4'-P energy: -104.099
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -127.059
flat angles P-C4'-P energy: -64.268
tors. eta vs tors. theta energy: -145.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1698.803398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.803398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.803398 (E_RNA)
where:
Base-Base interactions energy: -1163.270
where: short stacking energy: -484.184
Base-Backbone interact. energy: -2.049
local terms energy: -533.484823
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -108.451
flat angles C4'-P-C4' energy: -118.318
flat angles P-C4'-P energy: -75.926
tors. eta vs tors. theta energy: -125.001
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: 23
Temperature: 1.150000
Total energy: -1589.658746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.658746 (E_RNA)
where:
Base-Base interactions energy: -1097.981
where: short stacking energy: -456.678
Base-Backbone interact. energy: -2.184
local terms energy: -489.493764
where:
bonds (distance) C4'-P energy: -93.554
bonds (distance) P-C4' energy: -102.954
flat angles C4'-P-C4' energy: -113.083
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: -112.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1521.166500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.166500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.166500 (E_RNA)
where:
Base-Base interactions energy: -1059.184
where: short stacking energy: -437.626
Base-Backbone interact. energy: -2.144
local terms energy: -459.839269
where:
bonds (distance) C4'-P energy: -92.320
bonds (distance) P-C4' energy: -93.383
flat angles C4'-P-C4' energy: -109.842
flat angles P-C4'-P energy: -67.926
tors. eta vs tors. theta energy: -96.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1440.746803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.746803 (E_RNA)
where:
Base-Base interactions energy: -999.738
where: short stacking energy: -433.224
Base-Backbone interact. energy: -0.819
local terms energy: -440.190395
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -87.006
flat angles C4'-P-C4' energy: -103.320
flat angles P-C4'-P energy: -59.073
tors. eta vs tors. theta energy: -99.265
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1207.328240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.328240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.328240 (E_RNA)
where:
Base-Base interactions energy: -809.799
where: short stacking energy: -354.508
Base-Backbone interact. energy: 0.698
local terms energy: -398.227598
where:
bonds (distance) C4'-P energy: -87.447
bonds (distance) P-C4' energy: -87.512
flat angles C4'-P-C4' energy: -96.422
flat angles P-C4'-P energy: -50.915
tors. eta vs tors. theta energy: -75.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -905.168545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.168545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.168545 (E_RNA)
where:
Base-Base interactions energy: -583.296
where: short stacking energy: -257.428
Base-Backbone interact. energy: 0.243
local terms energy: -322.114886
where:
bonds (distance) C4'-P energy: -73.466
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: -41.445
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: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1946.887313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.887313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.887313 (E_RNA)
where:
Base-Base interactions energy: -1369.356
where: short stacking energy: -558.715
Base-Backbone interact. energy: -2.054
local terms energy: -575.477104
where:
bonds (distance) C4'-P energy: -108.638
bonds (distance) P-C4' energy: -108.878
flat angles C4'-P-C4' energy: -109.301
flat angles P-C4'-P energy: -82.080
tors. eta vs tors. theta energy: -166.581
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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1850.289394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.289394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.289394 (E_RNA)
where:
Base-Base interactions energy: -1281.980
where: short stacking energy: -550.494
Base-Backbone interact. energy: 0.488
local terms energy: -568.796679
where:
bonds (distance) C4'-P energy: -104.444
bonds (distance) P-C4' energy: -104.197
flat angles C4'-P-C4' energy: -121.583
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -151.543
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1804.539836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.539836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.539836 (E_RNA)
where:
Base-Base interactions energy: -1276.002
where: short stacking energy: -538.730
Base-Backbone interact. energy: -1.470
local terms energy: -527.067247
where:
bonds (distance) C4'-P energy: -85.255
bonds (distance) P-C4' energy: -101.495
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -144.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1739.931623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.931623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.931623 (E_RNA)
where:
Base-Base interactions energy: -1224.053
where: short stacking energy: -509.285
Base-Backbone interact. energy: -0.058
local terms energy: -515.820620
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -84.263
flat angles C4'-P-C4' energy: -116.330
flat angles P-C4'-P energy: -76.421
tors. eta vs tors. theta energy: -141.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1643.248656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.248656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.248656 (E_RNA)
where:
Base-Base interactions energy: -1142.345
where: short stacking energy: -467.783
Base-Backbone interact. energy: 0.016
local terms energy: -500.920201
where:
bonds (distance) C4'-P energy: -90.590
bonds (distance) P-C4' energy: -91.164
flat angles C4'-P-C4' energy: -121.064
flat angles P-C4'-P energy: -73.892
tors. eta vs tors. theta energy: -124.210
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1601.916936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.916936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.916936 (E_RNA)
where:
Base-Base interactions energy: -1108.074
where: short stacking energy: -468.747
Base-Backbone interact. energy: -0.335
local terms energy: -493.507173
where:
bonds (distance) C4'-P energy: -95.089
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -110.203
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -116.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1466.710820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.710820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.710820 (E_RNA)
where:
Base-Base interactions energy: -1015.580
where: short stacking energy: -423.195
Base-Backbone interact. energy: -3.431
local terms energy: -447.700177
where:
bonds (distance) C4'-P energy: -70.408
bonds (distance) P-C4' energy: -91.773
flat angles C4'-P-C4' energy: -110.851
flat angles P-C4'-P energy: -65.990
tors. eta vs tors. theta energy: -108.678
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: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1505.485060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.485060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.485060 (E_RNA)
where:
Base-Base interactions energy: -1061.331
where: short stacking energy: -432.855
Base-Backbone interact. energy: 0.226
local terms energy: -444.380023
where:
bonds (distance) C4'-P energy: -87.200
bonds (distance) P-C4' energy: -104.068
flat angles C4'-P-C4' energy: -86.410
flat angles P-C4'-P energy: -64.007
tors. eta vs tors. theta energy: -102.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1178.108579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.108579 (E_RNA)
where:
Base-Base interactions energy: -812.870
where: short stacking energy: -361.837
Base-Backbone interact. energy: 3.084
local terms energy: -368.323141
where:
bonds (distance) C4'-P energy: -75.038
bonds (distance) P-C4' energy: -83.255
flat angles C4'-P-C4' energy: -94.526
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: -70.668
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: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -985.200101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.200101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.200101 (E_RNA)
where:
Base-Base interactions energy: -637.429
where: short stacking energy: -286.493
Base-Backbone interact. energy: 1.486
local terms energy: -349.256934
where:
bonds (distance) C4'-P energy: -86.799
bonds (distance) P-C4' energy: -76.858
flat angles C4'-P-C4' energy: -93.189
flat angles P-C4'-P energy: -52.025
tors. eta vs tors. theta energy: -40.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1937.266849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.266849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.266849 (E_RNA)
where:
Base-Base interactions energy: -1348.719
where: short stacking energy: -570.683
Base-Backbone interact. energy: -3.169
local terms energy: -585.378465
where:
bonds (distance) C4'-P energy: -113.804
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -114.638
flat angles P-C4'-P energy: -90.660
tors. eta vs tors. theta energy: -153.404
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: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1810.310133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.310133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.310133 (E_RNA)
where:
Base-Base interactions energy: -1259.048
where: short stacking energy: -523.683
Base-Backbone interact. energy: -2.994
local terms energy: -548.268497
where:
bonds (distance) C4'-P energy: -98.768
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -116.378
flat angles P-C4'-P energy: -83.525
tors. eta vs tors. theta energy: -134.703
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: 25
Temperature: 1.000000
Total energy: -1842.172981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.172981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.172981 (E_RNA)
where:
Base-Base interactions energy: -1292.149
where: short stacking energy: -534.431
Base-Backbone interact. energy: -2.183
local terms energy: -547.841546
where:
bonds (distance) C4'-P energy: -105.518
bonds (distance) P-C4' energy: -98.654
flat angles C4'-P-C4' energy: -122.104
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -141.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1692.250216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.250216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.250216 (E_RNA)
where:
Base-Base interactions energy: -1170.527
where: short stacking energy: -504.820
Base-Backbone interact. energy: -2.796
local terms energy: -518.927743
where:
bonds (distance) C4'-P energy: -90.161
bonds (distance) P-C4' energy: -105.851
flat angles C4'-P-C4' energy: -110.700
flat angles P-C4'-P energy: -75.271
tors. eta vs tors. theta energy: -136.945
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: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1679.466968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.466968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.466968 (E_RNA)
where:
Base-Base interactions energy: -1170.580
where: short stacking energy: -495.718
Base-Backbone interact. energy: -1.994
local terms energy: -506.893750
where:
bonds (distance) C4'-P energy: -96.629
bonds (distance) P-C4' energy: -100.820
flat angles C4'-P-C4' energy: -106.093
flat angles P-C4'-P energy: -71.933
tors. eta vs tors. theta energy: -131.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1622.990794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.990794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.990794 (E_RNA)
where:
Base-Base interactions energy: -1125.166
where: short stacking energy: -464.428
Base-Backbone interact. energy: -3.734
local terms energy: -494.090544
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -101.813
flat angles C4'-P-C4' energy: -102.390
flat angles P-C4'-P energy: -65.683
tors. eta vs tors. theta energy: -122.758
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1466.949406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.949406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.949406 (E_RNA)
where:
Base-Base interactions energy: -1009.320
where: short stacking energy: -416.921
Base-Backbone interact. energy: -3.089
local terms energy: -454.539586
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -90.130
flat angles C4'-P-C4' energy: -100.543
flat angles P-C4'-P energy: -64.230
tors. eta vs tors. theta energy: -111.054
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: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1465.550154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.550154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.550154 (E_RNA)
where:
Base-Base interactions energy: -1054.266
where: short stacking energy: -425.283
Base-Backbone interact. energy: -3.817
local terms energy: -407.467242
where:
bonds (distance) C4'-P energy: -75.052
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -105.303
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -102.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1157.063014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.063014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.063014 (E_RNA)
where:
Base-Base interactions energy: -784.472
where: short stacking energy: -344.823
Base-Backbone interact. energy: 3.171
local terms energy: -375.762272
where:
bonds (distance) C4'-P energy: -72.772
bonds (distance) P-C4' energy: -99.926
flat angles C4'-P-C4' energy: -79.092
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -69.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1056.490710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.490710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.490710 (E_RNA)
where:
Base-Base interactions energy: -682.198
where: short stacking energy: -306.304
Base-Backbone interact. energy: 3.202
local terms energy: -377.494746
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -75.675
flat angles C4'-P-C4' energy: -90.789
flat angles P-C4'-P energy: -51.460
tors. eta vs tors. theta energy: -70.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1927.499740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.499740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.499740 (E_RNA)
where:
Base-Base interactions energy: -1343.945
where: short stacking energy: -569.635
Base-Backbone interact. energy: -4.360
local terms energy: -579.194451
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -111.205
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -87.343
tors. eta vs tors. theta energy: -157.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1806.387716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.387716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.387716 (E_RNA)
where:
Base-Base interactions energy: -1267.118
where: short stacking energy: -542.538
Base-Backbone interact. energy: -1.506
local terms energy: -537.763663
where:
bonds (distance) C4'-P energy: -93.192
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -117.414
flat angles P-C4'-P energy: -73.320
tors. eta vs tors. theta energy: -144.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1832.494509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.494509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.494509 (E_RNA)
where:
Base-Base interactions energy: -1302.849
where: short stacking energy: -531.926
Base-Backbone interact. energy: -2.333
local terms energy: -527.313259
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -88.254
flat angles C4'-P-C4' energy: -113.333
flat angles P-C4'-P energy: -83.893
tors. eta vs tors. theta energy: -154.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1688.191905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.191905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.191905 (E_RNA)
where:
Base-Base interactions energy: -1174.495
where: short stacking energy: -508.904
Base-Backbone interact. energy: -0.616
local terms energy: -513.080688
where:
bonds (distance) C4'-P energy: -95.960
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -112.420
flat angles P-C4'-P energy: -74.828
tors. eta vs tors. theta energy: -133.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1660.308939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.308939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.308939 (E_RNA)
where:
Base-Base interactions energy: -1152.665
where: short stacking energy: -479.102
Base-Backbone interact. energy: 4.133
local terms energy: -511.777414
where:
bonds (distance) C4'-P energy: -95.047
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -114.481
flat angles P-C4'-P energy: -74.416
tors. eta vs tors. theta energy: -122.247
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: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1608.205185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.205185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.205185 (E_RNA)
where:
Base-Base interactions energy: -1124.238
where: short stacking energy: -467.760
Base-Backbone interact. energy: -0.925
local terms energy: -483.042667
where:
bonds (distance) C4'-P energy: -93.528
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -111.498
flat angles P-C4'-P energy: -57.088
tors. eta vs tors. theta energy: -124.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1579.595505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.595505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.595505 (E_RNA)
where:
Base-Base interactions energy: -1119.898
where: short stacking energy: -459.268
Base-Backbone interact. energy: -1.717
local terms energy: -457.981227
where:
bonds (distance) C4'-P energy: -65.002
bonds (distance) P-C4' energy: -87.280
flat angles C4'-P-C4' energy: -113.248
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -118.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1438.090788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.090788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.090788 (E_RNA)
where:
Base-Base interactions energy: -984.035
where: short stacking energy: -389.097
Base-Backbone interact. energy: -3.011
local terms energy: -451.044608
where:
bonds (distance) C4'-P energy: -103.761
bonds (distance) P-C4' energy: -90.779
flat angles C4'-P-C4' energy: -102.916
flat angles P-C4'-P energy: -62.588
tors. eta vs tors. theta energy: -91.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1167.883310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.883310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.883310 (E_RNA)
where:
Base-Base interactions energy: -793.405
where: short stacking energy: -313.698
Base-Backbone interact. energy: 1.882
local terms energy: -376.360589
where:
bonds (distance) C4'-P energy: -80.622
bonds (distance) P-C4' energy: -74.087
flat angles C4'-P-C4' energy: -99.652
flat angles P-C4'-P energy: -52.596
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1022.309626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.309626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.309626 (E_RNA)
where:
Base-Base interactions energy: -659.967
where: short stacking energy: -303.606
Base-Backbone interact. energy: 0.061
local terms energy: -362.403655
where:
bonds (distance) C4'-P energy: -79.048
bonds (distance) P-C4' energy: -80.435
flat angles C4'-P-C4' energy: -79.953
flat angles P-C4'-P energy: -62.976
tors. eta vs tors. theta energy: -59.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1953.137108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.137108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.137108 (E_RNA)
where:
Base-Base interactions energy: -1368.386
where: short stacking energy: -571.361
Base-Backbone interact. energy: -3.217
local terms energy: -581.534756
where:
bonds (distance) C4'-P energy: -101.327
bonds (distance) P-C4' energy: -109.967
flat angles C4'-P-C4' energy: -114.340
flat angles P-C4'-P energy: -90.557
tors. eta vs tors. theta energy: -165.344
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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1857.233828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.233828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.233828 (E_RNA)
where:
Base-Base interactions energy: -1302.597
where: short stacking energy: -546.966
Base-Backbone interact. energy: -2.965
local terms energy: -551.671908
where:
bonds (distance) C4'-P energy: -105.634
bonds (distance) P-C4' energy: -105.203
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -152.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1768.963185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.963185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.963185 (E_RNA)
where:
Base-Base interactions energy: -1231.088
where: short stacking energy: -513.832
Base-Backbone interact. energy: -4.213
local terms energy: -533.661884
where:
bonds (distance) C4'-P energy: -106.734
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -119.228
flat angles P-C4'-P energy: -66.627
tors. eta vs tors. theta energy: -143.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1709.093335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.093335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.093335 (E_RNA)
where:
Base-Base interactions energy: -1191.039
where: short stacking energy: -512.850
Base-Backbone interact. energy: 0.034
local terms energy: -518.087478
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -99.817
flat angles C4'-P-C4' energy: -117.100
flat angles P-C4'-P energy: -79.364
tors. eta vs tors. theta energy: -130.129
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1640.438246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.438246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.438246 (E_RNA)
where:
Base-Base interactions energy: -1154.833
where: short stacking energy: -481.381
Base-Backbone interact. energy: -3.044
local terms energy: -482.560864
where:
bonds (distance) C4'-P energy: -98.748
bonds (distance) P-C4' energy: -88.304
flat angles C4'-P-C4' energy: -104.570
flat angles P-C4'-P energy: -60.766
tors. eta vs tors. theta energy: -130.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1609.693257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.693257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.693257 (E_RNA)
where:
Base-Base interactions energy: -1110.561
where: short stacking energy: -469.517
Base-Backbone interact. energy: 2.847
local terms energy: -501.978822
where:
bonds (distance) C4'-P energy: -90.108
bonds (distance) P-C4' energy: -99.077
flat angles C4'-P-C4' energy: -119.503
flat angles P-C4'-P energy: -67.901
tors. eta vs tors. theta energy: -125.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1552.633402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.633402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.633402 (E_RNA)
where:
Base-Base interactions energy: -1083.205
where: short stacking energy: -445.330
Base-Backbone interact. energy: 1.573
local terms energy: -471.000815
where:
bonds (distance) C4'-P energy: -92.523
bonds (distance) P-C4' energy: -91.672
flat angles C4'-P-C4' energy: -102.523
flat angles P-C4'-P energy: -71.498
tors. eta vs tors. theta energy: -112.785
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: 27
Temperature: 1.250000
Total energy: -1458.525370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.525370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.525370 (E_RNA)
where:
Base-Base interactions energy: -1010.579
where: short stacking energy: -421.780
Base-Backbone interact. energy: -1.615
local terms energy: -446.332039
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -96.552
flat angles C4'-P-C4' energy: -97.617
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -101.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1206.391096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.391096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.391096 (E_RNA)
where:
Base-Base interactions energy: -837.254
where: short stacking energy: -350.942
Base-Backbone interact. energy: 1.461
local terms energy: -370.598318
where:
bonds (distance) C4'-P energy: -85.114
bonds (distance) P-C4' energy: -87.212
flat angles C4'-P-C4' energy: -79.354
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -81.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1018.398371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.398371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.398371 (E_RNA)
where:
Base-Base interactions energy: -650.713
where: short stacking energy: -289.382
Base-Backbone interact. energy: 2.514
local terms energy: -370.199479
where:
bonds (distance) C4'-P energy: -95.447
bonds (distance) P-C4' energy: -92.079
flat angles C4'-P-C4' energy: -86.231
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -37.182
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: 28
Temperature: 0.900000
Total energy: -1965.234562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.234562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.234562 (E_RNA)
where:
Base-Base interactions energy: -1365.685
where: short stacking energy: -572.749
Base-Backbone interact. energy: -3.185
local terms energy: -596.365277
where:
bonds (distance) C4'-P energy: -113.931
bonds (distance) P-C4' energy: -107.566
flat angles C4'-P-C4' energy: -121.843
flat angles P-C4'-P energy: -84.448
tors. eta vs tors. theta energy: -168.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1845.839561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.839561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.839561 (E_RNA)
where:
Base-Base interactions energy: -1302.590
where: short stacking energy: -537.733
Base-Backbone interact. energy: 1.028
local terms energy: -544.276928
where:
bonds (distance) C4'-P energy: -100.594
bonds (distance) P-C4' energy: -99.657
flat angles C4'-P-C4' energy: -117.539
flat angles P-C4'-P energy: -72.732
tors. eta vs tors. theta energy: -153.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1827.994975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.994975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.994975 (E_RNA)
where:
Base-Base interactions energy: -1294.641
where: short stacking energy: -513.685
Base-Backbone interact. energy: -2.929
local terms energy: -530.424877
where:
bonds (distance) C4'-P energy: -89.960
bonds (distance) P-C4' energy: -89.406
flat angles C4'-P-C4' energy: -123.323
flat angles P-C4'-P energy: -81.767
tors. eta vs tors. theta energy: -145.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1693.575759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.575759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.575759 (E_RNA)
where:
Base-Base interactions energy: -1150.905
where: short stacking energy: -504.716
Base-Backbone interact. energy: -2.773
local terms energy: -539.898181
where:
bonds (distance) C4'-P energy: -96.798
bonds (distance) P-C4' energy: -109.082
flat angles C4'-P-C4' energy: -115.613
flat angles P-C4'-P energy: -78.941
tors. eta vs tors. theta energy: -139.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1657.921804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.921804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.921804 (E_RNA)
where:
Base-Base interactions energy: -1159.434
where: short stacking energy: -466.398
Base-Backbone interact. energy: -1.595
local terms energy: -496.892401
where:
bonds (distance) C4'-P energy: -90.943
bonds (distance) P-C4' energy: -110.735
flat angles C4'-P-C4' energy: -109.648
flat angles P-C4'-P energy: -74.739
tors. eta vs tors. theta energy: -110.827
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: 28
Temperature: 1.150000
Total energy: -1637.022346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.022346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.022346 (E_RNA)
where:
Base-Base interactions energy: -1160.347
where: short stacking energy: -496.773
Base-Backbone interact. energy: -0.219
local terms energy: -476.455956
where:
bonds (distance) C4'-P energy: -99.175
bonds (distance) P-C4' energy: -93.268
flat angles C4'-P-C4' energy: -109.136
flat angles P-C4'-P energy: -54.652
tors. eta vs tors. theta energy: -120.225
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1468.869335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.869335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.869335 (E_RNA)
where:
Base-Base interactions energy: -1017.181
where: short stacking energy: -425.906
Base-Backbone interact. energy: -1.238
local terms energy: -450.450410
where:
bonds (distance) C4'-P energy: -94.486
bonds (distance) P-C4' energy: -84.600
flat angles C4'-P-C4' energy: -108.374
flat angles P-C4'-P energy: -65.744
tors. eta vs tors. theta energy: -97.247
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1463.436942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.436942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.436942 (E_RNA)
where:
Base-Base interactions energy: -1035.166
where: short stacking energy: -421.969
Base-Backbone interact. energy: 0.298
local terms energy: -428.569465
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -89.561
flat angles P-C4'-P energy: -59.434
tors. eta vs tors. theta energy: -114.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1187.472167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.472167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.472167 (E_RNA)
where:
Base-Base interactions energy: -800.000
where: short stacking energy: -331.827
Base-Backbone interact. energy: -0.253
local terms energy: -387.219825
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -84.402
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -59.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1002.315968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.315968 (E_RNA)
where:
Base-Base interactions energy: -638.797
where: short stacking energy: -284.254
Base-Backbone interact. energy: 2.296
local terms energy: -365.814837
where:
bonds (distance) C4'-P energy: -93.593
bonds (distance) P-C4' energy: -79.206
flat angles C4'-P-C4' energy: -92.030
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1913.105161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.105161 (E_RNA)
where:
Base-Base interactions energy: -1328.862
where: short stacking energy: -566.769
Base-Backbone interact. energy: -4.084
local terms energy: -580.159530
where:
bonds (distance) C4'-P energy: -103.407
bonds (distance) P-C4' energy: -108.229
flat angles C4'-P-C4' energy: -121.084
flat angles P-C4'-P energy: -86.469
tors. eta vs tors. theta energy: -160.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1851.653462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.653462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.653462 (E_RNA)
where:
Base-Base interactions energy: -1281.648
where: short stacking energy: -522.304
Base-Backbone interact. energy: -4.514
local terms energy: -565.491488
where:
bonds (distance) C4'-P energy: -109.429
bonds (distance) P-C4' energy: -104.745
flat angles C4'-P-C4' energy: -124.252
flat angles P-C4'-P energy: -83.711
tors. eta vs tors. theta energy: -143.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1814.983739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.983739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.983739 (E_RNA)
where:
Base-Base interactions energy: -1281.317
where: short stacking energy: -527.476
Base-Backbone interact. energy: -2.721
local terms energy: -530.946082
where:
bonds (distance) C4'-P energy: -99.158
bonds (distance) P-C4' energy: -95.979
flat angles C4'-P-C4' energy: -118.126
flat angles P-C4'-P energy: -81.138
tors. eta vs tors. theta energy: -136.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1731.675986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.675986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.675986 (E_RNA)
where:
Base-Base interactions energy: -1213.309
where: short stacking energy: -516.806
Base-Backbone interact. energy: -2.725
local terms energy: -515.642316
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -117.600
flat angles P-C4'-P energy: -61.837
tors. eta vs tors. theta energy: -138.517
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1691.856263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.856263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.856263 (E_RNA)
where:
Base-Base interactions energy: -1200.436
where: short stacking energy: -480.309
Base-Backbone interact. energy: -3.098
local terms energy: -488.322479
where:
bonds (distance) C4'-P energy: -94.616
bonds (distance) P-C4' energy: -93.904
flat angles C4'-P-C4' energy: -104.700
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -121.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1628.071848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.071848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.071848 (E_RNA)
where:
Base-Base interactions energy: -1141.528
where: short stacking energy: -470.703
Base-Backbone interact. energy: -2.226
local terms energy: -484.317227
where:
bonds (distance) C4'-P energy: -81.406
bonds (distance) P-C4' energy: -97.695
flat angles C4'-P-C4' energy: -108.330
flat angles P-C4'-P energy: -71.254
tors. eta vs tors. theta energy: -125.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1505.346119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.346119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.346119 (E_RNA)
where:
Base-Base interactions energy: -1006.807
where: short stacking energy: -439.796
Base-Backbone interact. energy: 0.907
local terms energy: -499.446133
where:
bonds (distance) C4'-P energy: -96.726
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -73.246
tors. eta vs tors. theta energy: -119.043
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: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1412.622430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.622430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.622430 (E_RNA)
where:
Base-Base interactions energy: -1012.425
where: short stacking energy: -407.718
Base-Backbone interact. energy: -3.936
local terms energy: -396.261195
where:
bonds (distance) C4'-P energy: -64.757
bonds (distance) P-C4' energy: -86.823
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: -96.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1201.042988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.042988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.042988 (E_RNA)
where:
Base-Base interactions energy: -826.993
where: short stacking energy: -347.108
Base-Backbone interact. energy: -3.937
local terms energy: -370.112341
where:
bonds (distance) C4'-P energy: -80.278
bonds (distance) P-C4' energy: -83.952
flat angles C4'-P-C4' energy: -95.586
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -68.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -969.000674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.000674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.000674 (E_RNA)
where:
Base-Base interactions energy: -623.585
where: short stacking energy: -275.716
Base-Backbone interact. energy: 1.742
local terms energy: -347.158369
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -89.156
flat angles P-C4'-P energy: -39.622
tors. eta vs tors. theta energy: -45.952
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: 30
Temperature: 0.900000
Total energy: -1970.257014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.257014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.257014 (E_RNA)
where:
Base-Base interactions energy: -1369.987
where: short stacking energy: -582.649
Base-Backbone interact. energy: -4.374
local terms energy: -595.895591
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -110.964
flat angles C4'-P-C4' energy: -118.941
flat angles P-C4'-P energy: -91.362
tors. eta vs tors. theta energy: -163.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1864.500206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.500206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.500206 (E_RNA)
where:
Base-Base interactions energy: -1307.881
where: short stacking energy: -566.714
Base-Backbone interact. energy: -1.276
local terms energy: -555.343539
where:
bonds (distance) C4'-P energy: -111.591
bonds (distance) P-C4' energy: -89.261
flat angles C4'-P-C4' energy: -123.174
flat angles P-C4'-P energy: -80.743
tors. eta vs tors. theta energy: -150.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1787.628756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.628756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.628756 (E_RNA)
where:
Base-Base interactions energy: -1243.033
where: short stacking energy: -504.320
Base-Backbone interact. energy: -1.854
local terms energy: -542.741711
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -102.788
flat angles C4'-P-C4' energy: -119.220
flat angles P-C4'-P energy: -80.383
tors. eta vs tors. theta energy: -140.094
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: 30
Temperature: 1.050000
Total energy: -1744.697693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.697693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.697693 (E_RNA)
where:
Base-Base interactions energy: -1196.873
where: short stacking energy: -500.814
Base-Backbone interact. energy: -2.904
local terms energy: -544.920237
where:
bonds (distance) C4'-P energy: -94.204
bonds (distance) P-C4' energy: -103.131
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -90.635
tors. eta vs tors. theta energy: -144.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1682.496372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.496372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.496372 (E_RNA)
where:
Base-Base interactions energy: -1189.907
where: short stacking energy: -488.329
Base-Backbone interact. energy: 0.832
local terms energy: -493.421202
where:
bonds (distance) C4'-P energy: -96.113
bonds (distance) P-C4' energy: -85.363
flat angles C4'-P-C4' energy: -106.907
flat angles P-C4'-P energy: -72.926
tors. eta vs tors. theta energy: -132.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1595.411234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.411234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.411234 (E_RNA)
where:
Base-Base interactions energy: -1130.223
where: short stacking energy: -464.176
Base-Backbone interact. energy: -1.978
local terms energy: -463.210391
where:
bonds (distance) C4'-P energy: -74.719
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -101.992
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -113.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1541.637921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.637921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.637921 (E_RNA)
where:
Base-Base interactions energy: -1066.226
where: short stacking energy: -451.443
Base-Backbone interact. energy: 1.528
local terms energy: -476.939940
where:
bonds (distance) C4'-P energy: -95.333
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -97.709
flat angles P-C4'-P energy: -67.552
tors. eta vs tors. theta energy: -122.222
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: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1412.872528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.872528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.872528 (E_RNA)
where:
Base-Base interactions energy: -983.385
where: short stacking energy: -408.888
Base-Backbone interact. energy: 1.063
local terms energy: -430.550565
where:
bonds (distance) C4'-P energy: -89.381
bonds (distance) P-C4' energy: -82.872
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -67.941
tors. eta vs tors. theta energy: -92.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1168.968326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.968326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.968326 (E_RNA)
where:
Base-Base interactions energy: -763.527
where: short stacking energy: -336.784
Base-Backbone interact. energy: -0.100
local terms energy: -405.340780
where:
bonds (distance) C4'-P energy: -100.130
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -94.512
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -68.579
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: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -971.314410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.314410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.314410 (E_RNA)
where:
Base-Base interactions energy: -646.478
where: short stacking energy: -307.568
Base-Backbone interact. energy: -0.877
local terms energy: -323.959855
where:
bonds (distance) C4'-P energy: -79.446
bonds (distance) P-C4' energy: -70.128
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -51.796
tors. eta vs tors. theta energy: -47.149
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: 31
Temperature: 0.900000
Total energy: -1946.255547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.255547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.255547 (E_RNA)
where:
Base-Base interactions energy: -1360.269
where: short stacking energy: -562.636
Base-Backbone interact. energy: -3.681
local terms energy: -582.305868
where:
bonds (distance) C4'-P energy: -115.532
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -125.466
flat angles P-C4'-P energy: -86.213
tors. eta vs tors. theta energy: -156.104
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: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1839.435575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.435575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.435575 (E_RNA)
where:
Base-Base interactions energy: -1277.090
where: short stacking energy: -549.167
Base-Backbone interact. energy: -1.301
local terms energy: -561.044060
where:
bonds (distance) C4'-P energy: -95.412
bonds (distance) P-C4' energy: -120.490
flat angles C4'-P-C4' energy: -120.640
flat angles P-C4'-P energy: -74.429
tors. eta vs tors. theta energy: -150.073
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1774.132797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.132797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.132797 (E_RNA)
where:
Base-Base interactions energy: -1207.705
where: short stacking energy: -494.128
Base-Backbone interact. energy: -2.922
local terms energy: -563.505163
where:
bonds (distance) C4'-P energy: -114.177
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -119.343
flat angles P-C4'-P energy: -81.956
tors. eta vs tors. theta energy: -135.949
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1760.833351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.833351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.833351 (E_RNA)
where:
Base-Base interactions energy: -1211.022
where: short stacking energy: -503.887
Base-Backbone interact. energy: 0.155
local terms energy: -549.965874
where:
bonds (distance) C4'-P energy: -97.121
bonds (distance) P-C4' energy: -108.142
flat angles C4'-P-C4' energy: -114.567
flat angles P-C4'-P energy: -79.192
tors. eta vs tors. theta energy: -150.943
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: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1686.433093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.433093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.433093 (E_RNA)
where:
Base-Base interactions energy: -1187.487
where: short stacking energy: -484.595
Base-Backbone interact. energy: -0.062
local terms energy: -498.884602
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -116.648
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -125.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1602.888362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.888362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.888362 (E_RNA)
where:
Base-Base interactions energy: -1121.614
where: short stacking energy: -467.779
Base-Backbone interact. energy: -0.938
local terms energy: -480.335695
where:
bonds (distance) C4'-P energy: -88.046
bonds (distance) P-C4' energy: -85.697
flat angles C4'-P-C4' energy: -114.113
flat angles P-C4'-P energy: -65.653
tors. eta vs tors. theta energy: -126.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1493.939982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.939982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.939982 (E_RNA)
where:
Base-Base interactions energy: -1049.598
where: short stacking energy: -431.935
Base-Backbone interact. energy: 0.662
local terms energy: -445.004091
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -99.793
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -116.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1455.367162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.367162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.367162 (E_RNA)
where:
Base-Base interactions energy: -1028.008
where: short stacking energy: -429.605
Base-Backbone interact. energy: -2.311
local terms energy: -425.047711
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -94.163
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -116.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1136.497950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.497950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.497950 (E_RNA)
where:
Base-Base interactions energy: -765.606
where: short stacking energy: -312.443
Base-Backbone interact. energy: -1.044
local terms energy: -369.847674
where:
bonds (distance) C4'-P energy: -83.268
bonds (distance) P-C4' energy: -81.487
flat angles C4'-P-C4' energy: -88.795
flat angles P-C4'-P energy: -62.168
tors. eta vs tors. theta energy: -54.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1002.436631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.436631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.436631 (E_RNA)
where:
Base-Base interactions energy: -628.806
where: short stacking energy: -299.172
Base-Backbone interact. energy: -1.919
local terms energy: -371.711570
where:
bonds (distance) C4'-P energy: -93.530
bonds (distance) P-C4' energy: -88.868
flat angles C4'-P-C4' energy: -86.576
flat angles P-C4'-P energy: -56.151
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1943.259444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.259444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.259444 (E_RNA)
where:
Base-Base interactions energy: -1362.721
where: short stacking energy: -567.858
Base-Backbone interact. energy: -4.927
local terms energy: -575.610981
where:
bonds (distance) C4'-P energy: -114.000
bonds (distance) P-C4' energy: -98.204
flat angles C4'-P-C4' energy: -127.266
flat angles P-C4'-P energy: -76.617
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: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1845.934282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.934282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.934282 (E_RNA)
where:
Base-Base interactions energy: -1285.455
where: short stacking energy: -510.800
Base-Backbone interact. energy: 0.665
local terms energy: -561.144332
where:
bonds (distance) C4'-P energy: -111.119
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -126.584
flat angles P-C4'-P energy: -81.543
tors. eta vs tors. theta energy: -129.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1780.160666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.160666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.160666 (E_RNA)
where:
Base-Base interactions energy: -1246.277
where: short stacking energy: -524.174
Base-Backbone interact. energy: -3.919
local terms energy: -529.964692
where:
bonds (distance) C4'-P energy: -104.353
bonds (distance) P-C4' energy: -95.180
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -77.387
tors. eta vs tors. theta energy: -139.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1745.868296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.868296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.868296 (E_RNA)
where:
Base-Base interactions energy: -1236.595
where: short stacking energy: -514.757
Base-Backbone interact. energy: 1.769
local terms energy: -511.042207
where:
bonds (distance) C4'-P energy: -93.273
bonds (distance) P-C4' energy: -100.452
flat angles C4'-P-C4' energy: -108.743
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -138.592
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: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1674.841244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.841244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.841244 (E_RNA)
where:
Base-Base interactions energy: -1164.846
where: short stacking energy: -490.350
Base-Backbone interact. energy: -3.663
local terms energy: -506.332253
where:
bonds (distance) C4'-P energy: -105.624
bonds (distance) P-C4' energy: -98.937
flat angles C4'-P-C4' energy: -107.928
flat angles P-C4'-P energy: -71.985
tors. eta vs tors. theta energy: -121.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1616.770898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.770898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.770898 (E_RNA)
where:
Base-Base interactions energy: -1135.312
where: short stacking energy: -466.838
Base-Backbone interact. energy: -3.256
local terms energy: -478.203077
where:
bonds (distance) C4'-P energy: -87.313
bonds (distance) P-C4' energy: -103.796
flat angles C4'-P-C4' energy: -94.928
flat angles P-C4'-P energy: -68.269
tors. eta vs tors. theta energy: -123.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1473.929614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.929614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.929614 (E_RNA)
where:
Base-Base interactions energy: -1038.159
where: short stacking energy: -423.090
Base-Backbone interact. energy: -2.881
local terms energy: -432.889596
where:
bonds (distance) C4'-P energy: -80.739
bonds (distance) P-C4' energy: -79.378
flat angles C4'-P-C4' energy: -101.327
flat angles P-C4'-P energy: -70.310
tors. eta vs tors. theta energy: -101.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1391.958409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.958409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.958409 (E_RNA)
where:
Base-Base interactions energy: -974.198
where: short stacking energy: -386.554
Base-Backbone interact. energy: -3.719
local terms energy: -414.042135
where:
bonds (distance) C4'-P energy: -81.771
bonds (distance) P-C4' energy: -96.200
flat angles C4'-P-C4' energy: -96.178
flat angles P-C4'-P energy: -54.209
tors. eta vs tors. theta energy: -85.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1148.797831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.797831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.797831 (E_RNA)
where:
Base-Base interactions energy: -759.752
where: short stacking energy: -313.518
Base-Backbone interact. energy: -1.482
local terms energy: -387.563110
where:
bonds (distance) C4'-P energy: -73.726
bonds (distance) P-C4' energy: -93.869
flat angles C4'-P-C4' energy: -100.552
flat angles P-C4'-P energy: -70.565
tors. eta vs tors. theta energy: -48.852
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -978.532972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.532972 (E_RNA)
where:
Base-Base interactions energy: -642.773
where: short stacking energy: -281.259
Base-Backbone interact. energy: 1.264
local terms energy: -337.023860
where:
bonds (distance) C4'-P energy: -86.156
bonds (distance) P-C4' energy: -74.588
flat angles C4'-P-C4' energy: -85.014
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -40.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1923.760753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.760753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.760753 (E_RNA)
where:
Base-Base interactions energy: -1335.938
where: short stacking energy: -575.079
Base-Backbone interact. energy: -5.009
local terms energy: -582.813164
where:
bonds (distance) C4'-P energy: -101.922
bonds (distance) P-C4' energy: -102.045
flat angles C4'-P-C4' energy: -129.841
flat angles P-C4'-P energy: -88.552
tors. eta vs tors. theta energy: -160.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1823.141316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.141316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.141316 (E_RNA)
where:
Base-Base interactions energy: -1274.663
where: short stacking energy: -515.764
Base-Backbone interact. energy: -2.150
local terms energy: -546.328814
where:
bonds (distance) C4'-P energy: -102.885
bonds (distance) P-C4' energy: -112.768
flat angles C4'-P-C4' energy: -122.832
flat angles P-C4'-P energy: -72.235
tors. eta vs tors. theta energy: -135.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1792.008213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.008213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.008213 (E_RNA)
where:
Base-Base interactions energy: -1266.399
where: short stacking energy: -537.830
Base-Backbone interact. energy: -0.608
local terms energy: -525.001140
where:
bonds (distance) C4'-P energy: -106.279
bonds (distance) P-C4' energy: -78.507
flat angles C4'-P-C4' energy: -119.857
flat angles P-C4'-P energy: -75.778
tors. eta vs tors. theta energy: -144.582
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: 33
Temperature: 1.050000
Total energy: -1767.207201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.207201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.207201 (E_RNA)
where:
Base-Base interactions energy: -1252.143
where: short stacking energy: -526.176
Base-Backbone interact. energy: -1.202
local terms energy: -513.862294
where:
bonds (distance) C4'-P energy: -83.076
bonds (distance) P-C4' energy: -107.664
flat angles C4'-P-C4' energy: -106.701
flat angles P-C4'-P energy: -71.745
tors. eta vs tors. theta energy: -144.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1660.504522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.504522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.504522 (E_RNA)
where:
Base-Base interactions energy: -1171.577
where: short stacking energy: -475.107
Base-Backbone interact. energy: -0.022
local terms energy: -488.906372
where:
bonds (distance) C4'-P energy: -83.767
bonds (distance) P-C4' energy: -100.136
flat angles C4'-P-C4' energy: -99.205
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -138.248
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1533.148889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.148889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.148889 (E_RNA)
where:
Base-Base interactions energy: -1066.502
where: short stacking energy: -464.756
Base-Backbone interact. energy: 0.087
local terms energy: -466.734119
where:
bonds (distance) C4'-P energy: -82.028
bonds (distance) P-C4' energy: -90.134
flat angles C4'-P-C4' energy: -111.210
flat angles P-C4'-P energy: -68.018
tors. eta vs tors. theta energy: -115.345
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: 33
Temperature: 1.200000
Total energy: -1536.869160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.869160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.869160 (E_RNA)
where:
Base-Base interactions energy: -1065.956
where: short stacking energy: -427.234
Base-Backbone interact. energy: -2.663
local terms energy: -468.250637
where:
bonds (distance) C4'-P energy: -66.800
bonds (distance) P-C4' energy: -96.788
flat angles C4'-P-C4' energy: -115.006
flat angles P-C4'-P energy: -76.640
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: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1428.369049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.369049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.369049 (E_RNA)
where:
Base-Base interactions energy: -975.457
where: short stacking energy: -406.600
Base-Backbone interact. energy: -1.951
local terms energy: -450.960924
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -87.725
flat angles C4'-P-C4' energy: -101.180
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -94.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1170.689956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.689956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.689956 (E_RNA)
where:
Base-Base interactions energy: -795.858
where: short stacking energy: -338.139
Base-Backbone interact. energy: -1.823
local terms energy: -373.008733
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -89.653
flat angles C4'-P-C4' energy: -90.335
flat angles P-C4'-P energy: -51.833
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1005.014747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.014747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.014747 (E_RNA)
where:
Base-Base interactions energy: -652.600
where: short stacking energy: -276.544
Base-Backbone interact. energy: -0.726
local terms energy: -351.688540
where:
bonds (distance) C4'-P energy: -79.501
bonds (distance) P-C4' energy: -96.275
flat angles C4'-P-C4' energy: -71.552
flat angles P-C4'-P energy: -55.897
tors. eta vs tors. theta energy: -48.464
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: 34
Temperature: 0.900000
Total energy: -1928.737764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.737764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.737764 (E_RNA)
where:
Base-Base interactions energy: -1345.649
where: short stacking energy: -582.201
Base-Backbone interact. energy: -3.071
local terms energy: -580.017929
where:
bonds (distance) C4'-P energy: -116.197
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -121.002
flat angles P-C4'-P energy: -80.540
tors. eta vs tors. theta energy: -165.626
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: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1860.574395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.574395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.574395 (E_RNA)
where:
Base-Base interactions energy: -1307.981
where: short stacking energy: -546.415
Base-Backbone interact. energy: -3.374
local terms energy: -549.219442
where:
bonds (distance) C4'-P energy: -99.755
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -125.695
flat angles P-C4'-P energy: -84.458
tors. eta vs tors. theta energy: -139.683
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1804.411383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.411383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.411383 (E_RNA)
where:
Base-Base interactions energy: -1266.347
where: short stacking energy: -509.386
Base-Backbone interact. energy: 1.813
local terms energy: -539.877674
where:
bonds (distance) C4'-P energy: -100.802
bonds (distance) P-C4' energy: -103.011
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -138.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1716.324293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.324293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.324293 (E_RNA)
where:
Base-Base interactions energy: -1218.059
where: short stacking energy: -497.035
Base-Backbone interact. energy: 1.831
local terms energy: -500.095774
where:
bonds (distance) C4'-P energy: -84.718
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -117.158
flat angles P-C4'-P energy: -73.811
tors. eta vs tors. theta energy: -136.012
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: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1678.252032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.252032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.252032 (E_RNA)
where:
Base-Base interactions energy: -1163.528
where: short stacking energy: -507.202
Base-Backbone interact. energy: 4.026
local terms energy: -518.750123
where:
bonds (distance) C4'-P energy: -92.875
bonds (distance) P-C4' energy: -107.108
flat angles C4'-P-C4' energy: -116.060
flat angles P-C4'-P energy: -71.535
tors. eta vs tors. theta energy: -131.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1513.644048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.644048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.644048 (E_RNA)
where:
Base-Base interactions energy: -1073.677
where: short stacking energy: -452.662
Base-Backbone interact. energy: 0.208
local terms energy: -440.174513
where:
bonds (distance) C4'-P energy: -78.871
bonds (distance) P-C4' energy: -94.305
flat angles C4'-P-C4' energy: -103.232
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -112.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1480.945954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.945954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.945954 (E_RNA)
where:
Base-Base interactions energy: -1043.116
where: short stacking energy: -428.576
Base-Backbone interact. energy: -2.159
local terms energy: -435.670460
where:
bonds (distance) C4'-P energy: -89.719
bonds (distance) P-C4' energy: -86.011
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: -101.371
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: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1418.571398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.571398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.571398 (E_RNA)
where:
Base-Base interactions energy: -993.897
where: short stacking energy: -390.934
Base-Backbone interact. energy: -2.167
local terms energy: -422.507321
where:
bonds (distance) C4'-P energy: -79.205
bonds (distance) P-C4' energy: -94.501
flat angles C4'-P-C4' energy: -101.284
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -90.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1147.937505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.937505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.937505 (E_RNA)
where:
Base-Base interactions energy: -770.228
where: short stacking energy: -321.125
Base-Backbone interact. energy: -1.020
local terms energy: -376.689954
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -97.429
flat angles C4'-P-C4' energy: -102.980
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -58.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -978.123659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.123659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.123659 (E_RNA)
where:
Base-Base interactions energy: -631.946
where: short stacking energy: -284.464
Base-Backbone interact. energy: -2.718
local terms energy: -343.459345
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -96.400
flat angles C4'-P-C4' energy: -75.937
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -49.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1947.546844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.546844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.546844 (E_RNA)
where:
Base-Base interactions energy: -1372.165
where: short stacking energy: -569.062
Base-Backbone interact. energy: -2.794
local terms energy: -572.587804
where:
bonds (distance) C4'-P energy: -95.086
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -124.840
flat angles P-C4'-P energy: -78.627
tors. eta vs tors. theta energy: -169.138
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: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1874.315129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.315129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.315129 (E_RNA)
where:
Base-Base interactions energy: -1337.876
where: short stacking energy: -552.115
Base-Backbone interact. energy: -1.047
local terms energy: -535.392107
where:
bonds (distance) C4'-P energy: -100.806
bonds (distance) P-C4' energy: -105.565
flat angles C4'-P-C4' energy: -109.298
flat angles P-C4'-P energy: -76.067
tors. eta vs tors. theta energy: -143.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1830.573953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.573953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.573953 (E_RNA)
where:
Base-Base interactions energy: -1284.088
where: short stacking energy: -527.094
Base-Backbone interact. energy: -0.765
local terms energy: -545.721079
where:
bonds (distance) C4'-P energy: -113.747
bonds (distance) P-C4' energy: -90.985
flat angles C4'-P-C4' energy: -119.017
flat angles P-C4'-P energy: -76.927
tors. eta vs tors. theta energy: -145.045
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1715.613837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.613837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.613837 (E_RNA)
where:
Base-Base interactions energy: -1208.558
where: short stacking energy: -497.764
Base-Backbone interact. energy: 1.114
local terms energy: -508.169020
where:
bonds (distance) C4'-P energy: -96.555
bonds (distance) P-C4' energy: -103.207
flat angles C4'-P-C4' energy: -99.892
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -136.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1678.029368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.029368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.029368 (E_RNA)
where:
Base-Base interactions energy: -1171.717
where: short stacking energy: -477.589
Base-Backbone interact. energy: -3.979
local terms energy: -502.332921
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -88.611
flat angles C4'-P-C4' energy: -121.042
flat angles P-C4'-P energy: -75.403
tors. eta vs tors. theta energy: -121.607
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: 35
Temperature: 1.150000
Total energy: -1518.261439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.261439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.261439 (E_RNA)
where:
Base-Base interactions energy: -1046.873
where: short stacking energy: -445.780
Base-Backbone interact. energy: -1.004
local terms energy: -470.384263
where:
bonds (distance) C4'-P energy: -93.013
bonds (distance) P-C4' energy: -85.482
flat angles C4'-P-C4' energy: -109.805
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -109.660
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: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1476.574227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.574227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.574227 (E_RNA)
where:
Base-Base interactions energy: -1030.005
where: short stacking energy: -414.470
Base-Backbone interact. energy: 2.594
local terms energy: -449.163591
where:
bonds (distance) C4'-P energy: -83.394
bonds (distance) P-C4' energy: -101.336
flat angles C4'-P-C4' energy: -105.144
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -106.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1444.881092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.881092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.881092 (E_RNA)
where:
Base-Base interactions energy: -1020.122
where: short stacking energy: -407.599
Base-Backbone interact. energy: 6.659
local terms energy: -431.417945
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -86.587
flat angles C4'-P-C4' energy: -91.249
flat angles P-C4'-P energy: -61.873
tors. eta vs tors. theta energy: -104.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1153.598390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.598390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.598390 (E_RNA)
where:
Base-Base interactions energy: -747.800
where: short stacking energy: -334.118
Base-Backbone interact. energy: 0.488
local terms energy: -406.286292
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -94.262
flat angles C4'-P-C4' energy: -99.717
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -57.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -996.408859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.408859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.408859 (E_RNA)
where:
Base-Base interactions energy: -666.376
where: short stacking energy: -311.771
Base-Backbone interact. energy: 0.584
local terms energy: -330.617108
where:
bonds (distance) C4'-P energy: -76.075
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -78.955
flat angles P-C4'-P energy: -56.535
tors. eta vs tors. theta energy: -47.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1935.279867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.279867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.279867 (E_RNA)
where:
Base-Base interactions energy: -1351.556
where: short stacking energy: -581.032
Base-Backbone interact. energy: -0.137
local terms energy: -583.587073
where:
bonds (distance) C4'-P energy: -106.185
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -121.787
flat angles P-C4'-P energy: -89.036
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1856.677714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.677714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.677714 (E_RNA)
where:
Base-Base interactions energy: -1312.035
where: short stacking energy: -529.644
Base-Backbone interact. energy: -0.575
local terms energy: -544.067162
where:
bonds (distance) C4'-P energy: -105.631
bonds (distance) P-C4' energy: -110.322
flat angles C4'-P-C4' energy: -123.876
flat angles P-C4'-P energy: -77.513
tors. eta vs tors. theta energy: -126.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1808.166344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.166344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.166344 (E_RNA)
where:
Base-Base interactions energy: -1285.529
where: short stacking energy: -514.200
Base-Backbone interact. energy: 0.446
local terms energy: -523.083516
where:
bonds (distance) C4'-P energy: -106.024
bonds (distance) P-C4' energy: -99.135
flat angles C4'-P-C4' energy: -107.075
flat angles P-C4'-P energy: -76.040
tors. eta vs tors. theta energy: -134.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1745.007840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.007840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.007840 (E_RNA)
where:
Base-Base interactions energy: -1232.443
where: short stacking energy: -520.809
Base-Backbone interact. energy: -0.476
local terms energy: -512.088685
where:
bonds (distance) C4'-P energy: -90.720
bonds (distance) P-C4' energy: -109.858
flat angles C4'-P-C4' energy: -104.839
flat angles P-C4'-P energy: -76.031
tors. eta vs tors. theta energy: -130.641
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: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1667.195475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.195475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.195475 (E_RNA)
where:
Base-Base interactions energy: -1160.503
where: short stacking energy: -486.701
Base-Backbone interact. energy: -2.086
local terms energy: -504.606578
where:
bonds (distance) C4'-P energy: -90.224
bonds (distance) P-C4' energy: -97.316
flat angles C4'-P-C4' energy: -108.678
flat angles P-C4'-P energy: -76.162
tors. eta vs tors. theta energy: -132.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1503.325390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.325390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.325390 (E_RNA)
where:
Base-Base interactions energy: -1066.956
where: short stacking energy: -444.901
Base-Backbone interact. energy: -0.452
local terms energy: -435.917648
where:
bonds (distance) C4'-P energy: -80.520
bonds (distance) P-C4' energy: -89.039
flat angles C4'-P-C4' energy: -94.998
flat angles P-C4'-P energy: -62.089
tors. eta vs tors. theta energy: -109.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1465.255836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.255836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.255836 (E_RNA)
where:
Base-Base interactions energy: -1001.298
where: short stacking energy: -424.654
Base-Backbone interact. energy: -2.415
local terms energy: -461.542822
where:
bonds (distance) C4'-P energy: -72.021
bonds (distance) P-C4' energy: -104.303
flat angles C4'-P-C4' energy: -104.340
flat angles P-C4'-P energy: -74.238
tors. eta vs tors. theta energy: -106.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1468.364357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.364357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.364357 (E_RNA)
where:
Base-Base interactions energy: -1010.003
where: short stacking energy: -426.800
Base-Backbone interact. energy: -1.309
local terms energy: -457.052293
where:
bonds (distance) C4'-P energy: -87.433
bonds (distance) P-C4' energy: -92.478
flat angles C4'-P-C4' energy: -91.179
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -113.801
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1192.527930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.527930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.527930 (E_RNA)
where:
Base-Base interactions energy: -774.912
where: short stacking energy: -343.954
Base-Backbone interact. energy: -2.582
local terms energy: -415.033752
where:
bonds (distance) C4'-P energy: -87.365
bonds (distance) P-C4' energy: -102.322
flat angles C4'-P-C4' energy: -79.224
flat angles P-C4'-P energy: -62.924
tors. eta vs tors. theta energy: -83.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -992.034282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.034282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.034282 (E_RNA)
where:
Base-Base interactions energy: -650.013
where: short stacking energy: -280.855
Base-Backbone interact. energy: -1.678
local terms energy: -340.344000
where:
bonds (distance) C4'-P energy: -82.069
bonds (distance) P-C4' energy: -81.639
flat angles C4'-P-C4' energy: -83.514
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -48.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1938.434392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.434392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.434392 (E_RNA)
where:
Base-Base interactions energy: -1343.656
where: short stacking energy: -570.533
Base-Backbone interact. energy: -1.005
local terms energy: -593.773473
where:
bonds (distance) C4'-P energy: -109.669
bonds (distance) P-C4' energy: -112.876
flat angles C4'-P-C4' energy: -124.671
flat angles P-C4'-P energy: -84.440
tors. eta vs tors. theta energy: -162.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1888.119092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.119092 (E_RNA)
where:
Base-Base interactions energy: -1338.756
where: short stacking energy: -548.196
Base-Backbone interact. energy: -1.106
local terms energy: -548.257447
where:
bonds (distance) C4'-P energy: -78.541
bonds (distance) P-C4' energy: -114.964
flat angles C4'-P-C4' energy: -134.793
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -141.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1808.445785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.445785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.445785 (E_RNA)
where:
Base-Base interactions energy: -1265.975
where: short stacking energy: -511.704
Base-Backbone interact. energy: -3.999
local terms energy: -538.471250
where:
bonds (distance) C4'-P energy: -105.600
bonds (distance) P-C4' energy: -95.659
flat angles C4'-P-C4' energy: -117.134
flat angles P-C4'-P energy: -79.096
tors. eta vs tors. theta energy: -140.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1739.849541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.849541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.849541 (E_RNA)
where:
Base-Base interactions energy: -1214.023
where: short stacking energy: -510.990
Base-Backbone interact. energy: -1.425
local terms energy: -524.401606
where:
bonds (distance) C4'-P energy: -101.031
bonds (distance) P-C4' energy: -104.516
flat angles C4'-P-C4' energy: -103.493
flat angles P-C4'-P energy: -75.604
tors. eta vs tors. theta energy: -139.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1642.500767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.500767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.500767 (E_RNA)
where:
Base-Base interactions energy: -1146.932
where: short stacking energy: -477.572
Base-Backbone interact. energy: -3.207
local terms energy: -492.361934
where:
bonds (distance) C4'-P energy: -95.295
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -114.228
flat angles P-C4'-P energy: -69.046
tors. eta vs tors. theta energy: -121.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1532.583327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.583327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.583327 (E_RNA)
where:
Base-Base interactions energy: -1083.498
where: short stacking energy: -447.554
Base-Backbone interact. energy: -4.476
local terms energy: -444.608845
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -116.482
flat angles P-C4'-P energy: -49.039
tors. eta vs tors. theta energy: -113.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1481.784641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.784641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.784641 (E_RNA)
where:
Base-Base interactions energy: -1034.503
where: short stacking energy: -448.403
Base-Backbone interact. energy: -0.560
local terms energy: -446.721484
where:
bonds (distance) C4'-P energy: -90.151
bonds (distance) P-C4' energy: -82.104
flat angles C4'-P-C4' energy: -106.960
flat angles P-C4'-P energy: -67.459
tors. eta vs tors. theta energy: -100.048
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1410.335310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.335310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.335310 (E_RNA)
where:
Base-Base interactions energy: -994.829
where: short stacking energy: -401.098
Base-Backbone interact. energy: 3.090
local terms energy: -418.596299
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -84.710
flat angles C4'-P-C4' energy: -95.053
flat angles P-C4'-P energy: -55.393
tors. eta vs tors. theta energy: -95.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1207.182900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.182900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.182900 (E_RNA)
where:
Base-Base interactions energy: -807.758
where: short stacking energy: -351.101
Base-Backbone interact. energy: -1.566
local terms energy: -397.858837
where:
bonds (distance) C4'-P energy: -85.940
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -90.170
flat angles P-C4'-P energy: -60.653
tors. eta vs tors. theta energy: -84.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -946.147049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.147049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.147049 (E_RNA)
where:
Base-Base interactions energy: -601.089
where: short stacking energy: -266.806
Base-Backbone interact. energy: -0.388
local terms energy: -344.669853
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -85.763
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -54.342
tors. eta vs tors. theta energy: -56.540
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: 38
Temperature: 0.900000
Total energy: -1961.741563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.741563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.741563 (E_RNA)
where:
Base-Base interactions energy: -1385.906
where: short stacking energy: -581.081
Base-Backbone interact. energy: -1.819
local terms energy: -574.016471
where:
bonds (distance) C4'-P energy: -96.292
bonds (distance) P-C4' energy: -94.839
flat angles C4'-P-C4' energy: -126.994
flat angles P-C4'-P energy: -83.733
tors. eta vs tors. theta energy: -172.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1867.006826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.006826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.006826 (E_RNA)
where:
Base-Base interactions energy: -1323.044
where: short stacking energy: -521.828
Base-Backbone interact. energy: -3.051
local terms energy: -540.911554
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -112.042
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -78.760
tors. eta vs tors. theta energy: -145.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1812.160826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.160826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.160826 (E_RNA)
where:
Base-Base interactions energy: -1268.980
where: short stacking energy: -548.701
Base-Backbone interact. energy: -2.401
local terms energy: -540.779636
where:
bonds (distance) C4'-P energy: -85.739
bonds (distance) P-C4' energy: -109.559
flat angles C4'-P-C4' energy: -115.302
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -142.263
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1782.647244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.647244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.647244 (E_RNA)
where:
Base-Base interactions energy: -1234.963
where: short stacking energy: -546.598
Base-Backbone interact. energy: -3.238
local terms energy: -544.445743
where:
bonds (distance) C4'-P energy: -96.075
bonds (distance) P-C4' energy: -105.998
flat angles C4'-P-C4' energy: -111.541
flat angles P-C4'-P energy: -82.004
tors. eta vs tors. theta energy: -148.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1642.045654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.045654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.045654 (E_RNA)
where:
Base-Base interactions energy: -1123.067
where: short stacking energy: -457.821
Base-Backbone interact. energy: 0.491
local terms energy: -519.469901
where:
bonds (distance) C4'-P energy: -111.333
bonds (distance) P-C4' energy: -104.348
flat angles C4'-P-C4' energy: -114.662
flat angles P-C4'-P energy: -72.017
tors. eta vs tors. theta energy: -117.110
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: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1591.377313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.377313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.377313 (E_RNA)
where:
Base-Base interactions energy: -1116.057
where: short stacking energy: -459.830
Base-Backbone interact. energy: -2.561
local terms energy: -472.760223
where:
bonds (distance) C4'-P energy: -85.069
bonds (distance) P-C4' energy: -85.142
flat angles C4'-P-C4' energy: -101.563
flat angles P-C4'-P energy: -81.183
tors. eta vs tors. theta energy: -119.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1472.408368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.408368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.408368 (E_RNA)
where:
Base-Base interactions energy: -1006.192
where: short stacking energy: -403.913
Base-Backbone interact. energy: -0.223
local terms energy: -465.994005
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -100.119
flat angles C4'-P-C4' energy: -108.264
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: -101.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1426.043503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.043503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.043503 (E_RNA)
where:
Base-Base interactions energy: -1009.607
where: short stacking energy: -411.264
Base-Backbone interact. energy: 4.535
local terms energy: -420.971952
where:
bonds (distance) C4'-P energy: -78.934
bonds (distance) P-C4' energy: -90.527
flat angles C4'-P-C4' energy: -86.021
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -102.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1186.078869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.078869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.078869 (E_RNA)
where:
Base-Base interactions energy: -803.133
where: short stacking energy: -351.805
Base-Backbone interact. energy: -1.251
local terms energy: -381.694199
where:
bonds (distance) C4'-P energy: -75.441
bonds (distance) P-C4' energy: -80.659
flat angles C4'-P-C4' energy: -89.989
flat angles P-C4'-P energy: -65.202
tors. eta vs tors. theta energy: -70.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -955.307916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.307916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.307916 (E_RNA)
where:
Base-Base interactions energy: -617.857
where: short stacking energy: -291.816
Base-Backbone interact. energy: -4.556
local terms energy: -332.895043
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -95.012
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -40.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1946.556095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.556095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.556095 (E_RNA)
where:
Base-Base interactions energy: -1375.806
where: short stacking energy: -557.177
Base-Backbone interact. energy: 4.568
local terms energy: -575.318007
where:
bonds (distance) C4'-P energy: -102.451
bonds (distance) P-C4' energy: -112.110
flat angles C4'-P-C4' energy: -122.291
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -158.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1881.154077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.154077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.154077 (E_RNA)
where:
Base-Base interactions energy: -1306.246
where: short stacking energy: -530.137
Base-Backbone interact. energy: -5.416
local terms energy: -569.492763
where:
bonds (distance) C4'-P energy: -101.571
bonds (distance) P-C4' energy: -122.940
flat angles C4'-P-C4' energy: -123.686
flat angles P-C4'-P energy: -81.491
tors. eta vs tors. theta energy: -139.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1787.955999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.955999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.955999 (E_RNA)
where:
Base-Base interactions energy: -1230.640
where: short stacking energy: -520.862
Base-Backbone interact. energy: -2.929
local terms energy: -554.387021
where:
bonds (distance) C4'-P energy: -102.929
bonds (distance) P-C4' energy: -97.945
flat angles C4'-P-C4' energy: -118.366
flat angles P-C4'-P energy: -78.069
tors. eta vs tors. theta energy: -157.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1747.630895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.630895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.630895 (E_RNA)
where:
Base-Base interactions energy: -1200.241
where: short stacking energy: -510.710
Base-Backbone interact. energy: -0.875
local terms energy: -546.515509
where:
bonds (distance) C4'-P energy: -102.253
bonds (distance) P-C4' energy: -110.313
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -141.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1622.042451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.042451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.042451 (E_RNA)
where:
Base-Base interactions energy: -1127.802
where: short stacking energy: -473.061
Base-Backbone interact. energy: -0.041
local terms energy: -494.198575
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -104.748
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -66.660
tors. eta vs tors. theta energy: -116.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1589.158350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.158350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.158350 (E_RNA)
where:
Base-Base interactions energy: -1119.015
where: short stacking energy: -453.431
Base-Backbone interact. energy: -2.984
local terms energy: -467.158972
where:
bonds (distance) C4'-P energy: -70.127
bonds (distance) P-C4' energy: -85.979
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: -127.188
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: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1444.221509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.221509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.221509 (E_RNA)
where:
Base-Base interactions energy: -1004.479
where: short stacking energy: -405.215
Base-Backbone interact. energy: 0.350
local terms energy: -440.092900
where:
bonds (distance) C4'-P energy: -84.391
bonds (distance) P-C4' energy: -99.876
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -58.758
tors. eta vs tors. theta energy: -98.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1423.497891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.497891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.497891 (E_RNA)
where:
Base-Base interactions energy: -957.164
where: short stacking energy: -412.273
Base-Backbone interact. energy: 0.240
local terms energy: -466.573836
where:
bonds (distance) C4'-P energy: -89.143
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -116.451
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -109.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1156.296579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.296579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.296579 (E_RNA)
where:
Base-Base interactions energy: -755.887
where: short stacking energy: -319.104
Base-Backbone interact. energy: -1.113
local terms energy: -399.296883
where:
bonds (distance) C4'-P energy: -97.098
bonds (distance) P-C4' energy: -93.799
flat angles C4'-P-C4' energy: -85.845
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -55.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -924.185775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.185775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.185775 (E_RNA)
where:
Base-Base interactions energy: -595.363
where: short stacking energy: -264.493
Base-Backbone interact. energy: 5.060
local terms energy: -333.883216
where:
bonds (distance) C4'-P energy: -77.970
bonds (distance) P-C4' energy: -84.759
flat angles C4'-P-C4' energy: -90.198
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -38.061
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: 40
Temperature: 0.900000
Total energy: -1945.728329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.728329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.728329 (E_RNA)
where:
Base-Base interactions energy: -1352.934
where: short stacking energy: -574.510
Base-Backbone interact. energy: -2.698
local terms energy: -590.096928
where:
bonds (distance) C4'-P energy: -101.734
bonds (distance) P-C4' energy: -104.335
flat angles C4'-P-C4' energy: -123.849
flat angles P-C4'-P energy: -92.148
tors. eta vs tors. theta energy: -168.031
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: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1890.370730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.370730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.370730 (E_RNA)
where:
Base-Base interactions energy: -1344.624
where: short stacking energy: -529.816
Base-Backbone interact. energy: -3.945
local terms energy: -541.801942
where:
bonds (distance) C4'-P energy: -104.908
bonds (distance) P-C4' energy: -98.330
flat angles C4'-P-C4' energy: -112.437
flat angles P-C4'-P energy: -82.695
tors. eta vs tors. theta energy: -143.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1810.014556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.014556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.014556 (E_RNA)
where:
Base-Base interactions energy: -1254.194
where: short stacking energy: -527.927
Base-Backbone interact. energy: -1.977
local terms energy: -553.842719
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -111.139
flat angles C4'-P-C4' energy: -124.836
flat angles P-C4'-P energy: -60.215
tors. eta vs tors. theta energy: -144.136
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1762.569139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.569139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.569139 (E_RNA)
where:
Base-Base interactions energy: -1236.121
where: short stacking energy: -517.095
Base-Backbone interact. energy: 0.589
local terms energy: -527.036573
where:
bonds (distance) C4'-P energy: -78.130
bonds (distance) P-C4' energy: -102.585
flat angles C4'-P-C4' energy: -111.455
flat angles P-C4'-P energy: -87.282
tors. eta vs tors. theta energy: -147.584
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1626.218094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.218094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.218094 (E_RNA)
where:
Base-Base interactions energy: -1128.744
where: short stacking energy: -459.245
Base-Backbone interact. energy: -2.447
local terms energy: -495.026751
where:
bonds (distance) C4'-P energy: -86.764
bonds (distance) P-C4' energy: -107.407
flat angles C4'-P-C4' energy: -108.785
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -118.004
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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1593.508801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.508801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.508801 (E_RNA)
where:
Base-Base interactions energy: -1104.803
where: short stacking energy: -469.128
Base-Backbone interact. energy: -1.623
local terms energy: -487.083086
where:
bonds (distance) C4'-P energy: -97.729
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -67.002
tors. eta vs tors. theta energy: -119.817
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1478.013581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.013581 (E_RNA)
where:
Base-Base interactions energy: -1030.479
where: short stacking energy: -434.038
Base-Backbone interact. energy: 7.828
local terms energy: -455.362053
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -101.658
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -104.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1426.400647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.400647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.400647 (E_RNA)
where:
Base-Base interactions energy: -1015.052
where: short stacking energy: -409.292
Base-Backbone interact. energy: -1.478
local terms energy: -409.871057
where:
bonds (distance) C4'-P energy: -83.127
bonds (distance) P-C4' energy: -88.767
flat angles C4'-P-C4' energy: -93.432
flat angles P-C4'-P energy: -57.505
tors. eta vs tors. theta energy: -87.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1179.144790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.144790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.144790 (E_RNA)
where:
Base-Base interactions energy: -797.874
where: short stacking energy: -367.132
Base-Backbone interact. energy: 9.393
local terms energy: -390.664376
where:
bonds (distance) C4'-P energy: -81.025
bonds (distance) P-C4' energy: -83.267
flat angles C4'-P-C4' energy: -91.885
flat angles P-C4'-P energy: -58.792
tors. eta vs tors. theta energy: -75.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -906.061938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.061938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.061938 (E_RNA)
where:
Base-Base interactions energy: -560.012
where: short stacking energy: -231.648
Base-Backbone interact. energy: -2.285
local terms energy: -343.764587
where:
bonds (distance) C4'-P energy: -90.929
bonds (distance) P-C4' energy: -75.000
flat angles C4'-P-C4' energy: -86.691
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -28.282
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1933.553336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.553336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.553336 (E_RNA)
where:
Base-Base interactions energy: -1337.677
where: short stacking energy: -546.096
Base-Backbone interact. energy: -4.074
local terms energy: -591.802850
where:
bonds (distance) C4'-P energy: -107.713
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -126.850
flat angles P-C4'-P energy: -87.229
tors. eta vs tors. theta energy: -155.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1847.265043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.265043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.265043 (E_RNA)
where:
Base-Base interactions energy: -1275.002
where: short stacking energy: -527.511
Base-Backbone interact. energy: 8.088
local terms energy: -580.350878
where:
bonds (distance) C4'-P energy: -113.288
bonds (distance) P-C4' energy: -110.167
flat angles C4'-P-C4' energy: -122.393
flat angles P-C4'-P energy: -90.779
tors. eta vs tors. theta energy: -143.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1778.795803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.795803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.795803 (E_RNA)
where:
Base-Base interactions energy: -1254.148
where: short stacking energy: -525.983
Base-Backbone interact. energy: -3.301
local terms energy: -521.346801
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -103.624
flat angles P-C4'-P energy: -75.927
tors. eta vs tors. theta energy: -135.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1786.692626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.692626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.692626 (E_RNA)
where:
Base-Base interactions energy: -1236.895
where: short stacking energy: -519.012
Base-Backbone interact. energy: -0.307
local terms energy: -549.490877
where:
bonds (distance) C4'-P energy: -90.953
bonds (distance) P-C4' energy: -105.248
flat angles C4'-P-C4' energy: -119.009
flat angles P-C4'-P energy: -82.876
tors. eta vs tors. theta energy: -151.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1709.524579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.524579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.524579 (E_RNA)
where:
Base-Base interactions energy: -1208.027
where: short stacking energy: -495.754
Base-Backbone interact. energy: -1.197
local terms energy: -500.300390
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -91.075
flat angles C4'-P-C4' energy: -113.760
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -130.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1588.908059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.908059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.908059 (E_RNA)
where:
Base-Base interactions energy: -1113.126
where: short stacking energy: -460.052
Base-Backbone interact. energy: -3.588
local terms energy: -472.193577
where:
bonds (distance) C4'-P energy: -94.928
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -95.082
flat angles P-C4'-P energy: -69.558
tors. eta vs tors. theta energy: -116.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1449.705096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.705096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.705096 (E_RNA)
where:
Base-Base interactions energy: -1016.316
where: short stacking energy: -422.218
Base-Backbone interact. energy: -3.659
local terms energy: -429.730839
where:
bonds (distance) C4'-P energy: -89.262
bonds (distance) P-C4' energy: -96.101
flat angles C4'-P-C4' energy: -93.200
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -100.868
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1407.759320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.759320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.759320 (E_RNA)
where:
Base-Base interactions energy: -980.484
where: short stacking energy: -392.431
Base-Backbone interact. energy: 1.178
local terms energy: -428.452924
where:
bonds (distance) C4'-P energy: -81.540
bonds (distance) P-C4' energy: -106.549
flat angles C4'-P-C4' energy: -99.684
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -92.269
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: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1169.486243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.486243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.486243 (E_RNA)
where:
Base-Base interactions energy: -793.986
where: short stacking energy: -327.581
Base-Backbone interact. energy: -2.918
local terms energy: -372.582693
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -82.685
flat angles C4'-P-C4' energy: -79.971
flat angles P-C4'-P energy: -70.298
tors. eta vs tors. theta energy: -67.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -917.903759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.903759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.903759 (E_RNA)
where:
Base-Base interactions energy: -577.215
where: short stacking energy: -277.427
Base-Backbone interact. energy: -0.451
local terms energy: -340.237667
where:
bonds (distance) C4'-P energy: -75.734
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -77.959
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -41.608
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: 42
Temperature: 0.900000
Total energy: -1933.483832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.483832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.483832 (E_RNA)
where:
Base-Base interactions energy: -1363.749
where: short stacking energy: -576.069
Base-Backbone interact. energy: 2.587
local terms energy: -572.321488
where:
bonds (distance) C4'-P energy: -97.733
bonds (distance) P-C4' energy: -111.013
flat angles C4'-P-C4' energy: -123.915
flat angles P-C4'-P energy: -77.593
tors. eta vs tors. theta energy: -162.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1861.293927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.293927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.293927 (E_RNA)
where:
Base-Base interactions energy: -1290.729
where: short stacking energy: -515.775
Base-Backbone interact. energy: -1.517
local terms energy: -569.048595
where:
bonds (distance) C4'-P energy: -105.494
bonds (distance) P-C4' energy: -107.224
flat angles C4'-P-C4' energy: -125.692
flat angles P-C4'-P energy: -85.101
tors. eta vs tors. theta energy: -145.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1762.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.228938 (E_RNA)
where:
Base-Base interactions energy: -1221.467
where: short stacking energy: -501.856
Base-Backbone interact. energy: -3.599
local terms energy: -537.163612
where:
bonds (distance) C4'-P energy: -100.764
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -114.536
flat angles P-C4'-P energy: -78.277
tors. eta vs tors. theta energy: -141.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1765.577104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.577104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.577104 (E_RNA)
where:
Base-Base interactions energy: -1225.922
where: short stacking energy: -494.028
Base-Backbone interact. energy: -2.544
local terms energy: -537.110669
where:
bonds (distance) C4'-P energy: -92.850
bonds (distance) P-C4' energy: -111.403
flat angles C4'-P-C4' energy: -120.152
flat angles P-C4'-P energy: -77.626
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1691.219928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.219928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.219928 (E_RNA)
where:
Base-Base interactions energy: -1187.050
where: short stacking energy: -490.116
Base-Backbone interact. energy: -1.120
local terms energy: -503.049820
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -98.744
flat angles C4'-P-C4' energy: -114.830
flat angles P-C4'-P energy: -74.632
tors. eta vs tors. theta energy: -133.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1576.237236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.237236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.237236 (E_RNA)
where:
Base-Base interactions energy: -1081.562
where: short stacking energy: -452.653
Base-Backbone interact. energy: -3.097
local terms energy: -491.578818
where:
bonds (distance) C4'-P energy: -97.334
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -98.116
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -128.398
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1462.591110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.591110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.591110 (E_RNA)
where:
Base-Base interactions energy: -1023.232
where: short stacking energy: -424.034
Base-Backbone interact. energy: -0.668
local terms energy: -438.690162
where:
bonds (distance) C4'-P energy: -90.362
bonds (distance) P-C4' energy: -94.891
flat angles C4'-P-C4' energy: -93.032
flat angles P-C4'-P energy: -59.810
tors. eta vs tors. theta energy: -100.595
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: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1437.855611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.855611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.855611 (E_RNA)
where:
Base-Base interactions energy: -989.872
where: short stacking energy: -401.790
Base-Backbone interact. energy: -0.728
local terms energy: -447.255705
where:
bonds (distance) C4'-P energy: -78.273
bonds (distance) P-C4' energy: -97.677
flat angles C4'-P-C4' energy: -100.381
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -106.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1191.392239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.392239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.392239 (E_RNA)
where:
Base-Base interactions energy: -796.449
where: short stacking energy: -368.703
Base-Backbone interact. energy: -2.621
local terms energy: -392.322298
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -83.074
flat angles C4'-P-C4' energy: -73.420
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -95.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -994.078473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.078473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.078473 (E_RNA)
where:
Base-Base interactions energy: -645.740
where: short stacking energy: -315.435
Base-Backbone interact. energy: 1.733
local terms energy: -350.071252
where:
bonds (distance) C4'-P energy: -77.086
bonds (distance) P-C4' energy: -77.589
flat angles C4'-P-C4' energy: -90.439
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -57.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1955.574282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.574282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.574282 (E_RNA)
where:
Base-Base interactions energy: -1372.996
where: short stacking energy: -580.119
Base-Backbone interact. energy: -2.544
local terms energy: -580.034408
where:
bonds (distance) C4'-P energy: -103.655
bonds (distance) P-C4' energy: -108.517
flat angles C4'-P-C4' energy: -116.985
flat angles P-C4'-P energy: -83.899
tors. eta vs tors. theta energy: -166.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1863.126892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.126892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.126892 (E_RNA)
where:
Base-Base interactions energy: -1285.388
where: short stacking energy: -537.996
Base-Backbone interact. energy: -2.305
local terms energy: -575.434443
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -131.744
flat angles P-C4'-P energy: -86.047
tors. eta vs tors. theta energy: -144.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1782.135983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.135983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.135983 (E_RNA)
where:
Base-Base interactions energy: -1228.944
where: short stacking energy: -519.282
Base-Backbone interact. energy: -3.384
local terms energy: -549.807537
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -107.814
flat angles C4'-P-C4' energy: -116.832
flat angles P-C4'-P energy: -84.825
tors. eta vs tors. theta energy: -148.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1703.022931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.022931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.022931 (E_RNA)
where:
Base-Base interactions energy: -1183.696
where: short stacking energy: -510.792
Base-Backbone interact. energy: 2.883
local terms energy: -522.210346
where:
bonds (distance) C4'-P energy: -89.173
bonds (distance) P-C4' energy: -114.776
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -140.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1659.794970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.794970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.794970 (E_RNA)
where:
Base-Base interactions energy: -1166.525
where: short stacking energy: -479.433
Base-Backbone interact. energy: -2.556
local terms energy: -490.713844
where:
bonds (distance) C4'-P energy: -93.095
bonds (distance) P-C4' energy: -77.402
flat angles C4'-P-C4' energy: -117.220
flat angles P-C4'-P energy: -76.708
tors. eta vs tors. theta energy: -126.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1558.563205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.563205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.563205 (E_RNA)
where:
Base-Base interactions energy: -1075.962
where: short stacking energy: -470.989
Base-Backbone interact. energy: -4.652
local terms energy: -477.949043
where:
bonds (distance) C4'-P energy: -96.388
bonds (distance) P-C4' energy: -80.053
flat angles C4'-P-C4' energy: -106.233
flat angles P-C4'-P energy: -79.728
tors. eta vs tors. theta energy: -115.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1468.080242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.080242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.080242 (E_RNA)
where:
Base-Base interactions energy: -1027.057
where: short stacking energy: -427.535
Base-Backbone interact. energy: 1.790
local terms energy: -442.813185
where:
bonds (distance) C4'-P energy: -83.693
bonds (distance) P-C4' energy: -82.610
flat angles C4'-P-C4' energy: -90.918
flat angles P-C4'-P energy: -75.146
tors. eta vs tors. theta energy: -110.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1397.933283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.933283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.933283 (E_RNA)
where:
Base-Base interactions energy: -990.469
where: short stacking energy: -400.024
Base-Backbone interact. energy: -0.097
local terms energy: -407.367582
where:
bonds (distance) C4'-P energy: -78.472
bonds (distance) P-C4' energy: -87.550
flat angles C4'-P-C4' energy: -98.693
flat angles P-C4'-P energy: -64.811
tors. eta vs tors. theta energy: -77.842
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: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1298.812719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.812719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.812719 (E_RNA)
where:
Base-Base interactions energy: -890.539
where: short stacking energy: -375.067
Base-Backbone interact. energy: 2.811
local terms energy: -411.085244
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -89.794
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -53.441
tors. eta vs tors. theta energy: -79.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -965.358704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.358704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.358704 (E_RNA)
where:
Base-Base interactions energy: -616.606
where: short stacking energy: -281.049
Base-Backbone interact. energy: 1.227
local terms energy: -349.980257
where:
bonds (distance) C4'-P energy: -74.889
bonds (distance) P-C4' energy: -80.141
flat angles C4'-P-C4' energy: -91.048
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -53.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1949.880431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.880431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.880431 (E_RNA)
where:
Base-Base interactions energy: -1374.742
where: short stacking energy: -581.836
Base-Backbone interact. energy: -2.075
local terms energy: -573.063007
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -122.138
flat angles P-C4'-P energy: -80.206
tors. eta vs tors. theta energy: -163.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1866.126705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.126705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.126705 (E_RNA)
where:
Base-Base interactions energy: -1317.850
where: short stacking energy: -546.706
Base-Backbone interact. energy: -1.444
local terms energy: -546.832388
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -91.173
flat angles C4'-P-C4' energy: -116.915
flat angles P-C4'-P energy: -89.045
tors. eta vs tors. theta energy: -145.140
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1818.709763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.709763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.709763 (E_RNA)
where:
Base-Base interactions energy: -1256.825
where: short stacking energy: -538.065
Base-Backbone interact. energy: 0.533
local terms energy: -562.417968
where:
bonds (distance) C4'-P energy: -100.488
bonds (distance) P-C4' energy: -103.099
flat angles C4'-P-C4' energy: -121.619
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -147.865
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: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1770.743810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.743810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.743810 (E_RNA)
where:
Base-Base interactions energy: -1229.394
where: short stacking energy: -529.164
Base-Backbone interact. energy: -0.735
local terms energy: -540.614021
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -110.763
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -152.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1689.046221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.046221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.046221 (E_RNA)
where:
Base-Base interactions energy: -1191.641
where: short stacking energy: -486.208
Base-Backbone interact. energy: 0.873
local terms energy: -498.278005
where:
bonds (distance) C4'-P energy: -97.156
bonds (distance) P-C4' energy: -97.775
flat angles C4'-P-C4' energy: -109.984
flat angles P-C4'-P energy: -69.328
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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1581.249425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.249425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.249425 (E_RNA)
where:
Base-Base interactions energy: -1101.568
where: short stacking energy: -487.196
Base-Backbone interact. energy: -2.153
local terms energy: -477.527912
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -105.569
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -125.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1452.003324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.003324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.003324 (E_RNA)
where:
Base-Base interactions energy: -1000.634
where: short stacking energy: -420.269
Base-Backbone interact. energy: -0.048
local terms energy: -451.321092
where:
bonds (distance) C4'-P energy: -67.412
bonds (distance) P-C4' energy: -81.156
flat angles C4'-P-C4' energy: -123.874
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -98.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1416.375507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.375507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.375507 (E_RNA)
where:
Base-Base interactions energy: -1012.209
where: short stacking energy: -426.799
Base-Backbone interact. energy: 0.917
local terms energy: -405.083443
where:
bonds (distance) C4'-P energy: -67.738
bonds (distance) P-C4' energy: -89.568
flat angles C4'-P-C4' energy: -94.883
flat angles P-C4'-P energy: -62.066
tors. eta vs tors. theta energy: -90.829
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: 44
Temperature: 1.300000
Total energy: -1176.248090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.248090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.248090 (E_RNA)
where:
Base-Base interactions energy: -787.964
where: short stacking energy: -334.459
Base-Backbone interact. energy: 1.024
local terms energy: -389.308027
where:
bonds (distance) C4'-P energy: -79.597
bonds (distance) P-C4' energy: -100.213
flat angles C4'-P-C4' energy: -98.740
flat angles P-C4'-P energy: -43.839
tors. eta vs tors. theta energy: -66.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -956.593936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.593936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.593936 (E_RNA)
where:
Base-Base interactions energy: -607.542
where: short stacking energy: -267.936
Base-Backbone interact. energy: -3.653
local terms energy: -345.398457
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -101.603
flat angles C4'-P-C4' energy: -89.693
flat angles P-C4'-P energy: -53.586
tors. eta vs tors. theta energy: -37.854
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: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1965.054400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.054400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.054400 (E_RNA)
where:
Base-Base interactions energy: -1377.836
where: short stacking energy: -593.129
Base-Backbone interact. energy: -1.060
local terms energy: -586.158766
where:
bonds (distance) C4'-P energy: -108.721
bonds (distance) P-C4' energy: -108.702
flat angles C4'-P-C4' energy: -126.623
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -163.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1838.532130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.532130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.532130 (E_RNA)
where:
Base-Base interactions energy: -1286.753
where: short stacking energy: -527.814
Base-Backbone interact. energy: -2.464
local terms energy: -549.314848
where:
bonds (distance) C4'-P energy: -95.554
bonds (distance) P-C4' energy: -101.800
flat angles C4'-P-C4' energy: -119.498
flat angles P-C4'-P energy: -87.031
tors. eta vs tors. theta energy: -145.433
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1783.260462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.260462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.260462 (E_RNA)
where:
Base-Base interactions energy: -1269.939
where: short stacking energy: -543.013
Base-Backbone interact. energy: -0.866
local terms energy: -512.456129
where:
bonds (distance) C4'-P energy: -95.425
bonds (distance) P-C4' energy: -82.769
flat angles C4'-P-C4' energy: -118.191
flat angles P-C4'-P energy: -69.971
tors. eta vs tors. theta energy: -146.100
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1704.627386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.627386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.627386 (E_RNA)
where:
Base-Base interactions energy: -1193.266
where: short stacking energy: -494.552
Base-Backbone interact. energy: -1.249
local terms energy: -510.112038
where:
bonds (distance) C4'-P energy: -96.777
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -113.735
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -125.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1658.511106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.511106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.511106 (E_RNA)
where:
Base-Base interactions energy: -1149.496
where: short stacking energy: -478.990
Base-Backbone interact. energy: -0.945
local terms energy: -508.069873
where:
bonds (distance) C4'-P energy: -98.275
bonds (distance) P-C4' energy: -99.613
flat angles C4'-P-C4' energy: -121.333
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -120.299
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: 45
Temperature: 1.150000
Total energy: -1582.075651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.075651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.075651 (E_RNA)
where:
Base-Base interactions energy: -1093.996
where: short stacking energy: -422.331
Base-Backbone interact. energy: -3.403
local terms energy: -484.675896
where:
bonds (distance) C4'-P energy: -99.780
bonds (distance) P-C4' energy: -109.769
flat angles C4'-P-C4' energy: -109.664
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: -109.532
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1431.128653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.128653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.128653 (E_RNA)
where:
Base-Base interactions energy: -988.862
where: short stacking energy: -419.246
Base-Backbone interact. energy: -1.282
local terms energy: -440.984282
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -94.255
flat angles C4'-P-C4' energy: -91.044
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -95.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1376.169048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.169048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.169048 (E_RNA)
where:
Base-Base interactions energy: -971.197
where: short stacking energy: -377.774
Base-Backbone interact. energy: -1.593
local terms energy: -403.378305
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -85.299
flat angles C4'-P-C4' energy: -91.585
flat angles P-C4'-P energy: -66.522
tors. eta vs tors. theta energy: -75.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1171.251014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.251014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.251014 (E_RNA)
where:
Base-Base interactions energy: -786.098
where: short stacking energy: -329.821
Base-Backbone interact. energy: -2.743
local terms energy: -382.409779
where:
bonds (distance) C4'-P energy: -103.755
bonds (distance) P-C4' energy: -66.091
flat angles C4'-P-C4' energy: -89.609
flat angles P-C4'-P energy: -53.084
tors. eta vs tors. theta energy: -69.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -923.652505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.652505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.652505 (E_RNA)
where:
Base-Base interactions energy: -568.041
where: short stacking energy: -254.291
Base-Backbone interact. energy: -1.702
local terms energy: -353.909274
where:
bonds (distance) C4'-P energy: -77.656
bonds (distance) P-C4' energy: -95.388
flat angles C4'-P-C4' energy: -97.600
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -36.817
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: 46
Temperature: 0.900000
Total energy: -1943.166070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.166070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.166070 (E_RNA)
where:
Base-Base interactions energy: -1373.062
where: short stacking energy: -583.944
Base-Backbone interact. energy: 3.569
local terms energy: -573.672796
where:
bonds (distance) C4'-P energy: -103.232
bonds (distance) P-C4' energy: -99.661
flat angles C4'-P-C4' energy: -133.201
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -152.485
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: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1868.036509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.036509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.036509 (E_RNA)
where:
Base-Base interactions energy: -1319.306
where: short stacking energy: -545.753
Base-Backbone interact. energy: 4.289
local terms energy: -553.019237
where:
bonds (distance) C4'-P energy: -97.707
bonds (distance) P-C4' energy: -102.222
flat angles C4'-P-C4' energy: -120.968
flat angles P-C4'-P energy: -87.434
tors. eta vs tors. theta energy: -144.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1766.149814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.149814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.149814 (E_RNA)
where:
Base-Base interactions energy: -1234.609
where: short stacking energy: -533.891
Base-Backbone interact. energy: 0.031
local terms energy: -531.571979
where:
bonds (distance) C4'-P energy: -98.467
bonds (distance) P-C4' energy: -102.159
flat angles C4'-P-C4' energy: -119.413
flat angles P-C4'-P energy: -65.654
tors. eta vs tors. theta energy: -145.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1719.040855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.040855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.040855 (E_RNA)
where:
Base-Base interactions energy: -1198.692
where: short stacking energy: -496.716
Base-Backbone interact. energy: -0.737
local terms energy: -519.611218
where:
bonds (distance) C4'-P energy: -80.927
bonds (distance) P-C4' energy: -102.341
flat angles C4'-P-C4' energy: -115.149
flat angles P-C4'-P energy: -81.338
tors. eta vs tors. theta energy: -139.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1701.844105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.844105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.844105 (E_RNA)
where:
Base-Base interactions energy: -1208.233
where: short stacking energy: -511.736
Base-Backbone interact. energy: 2.917
local terms energy: -496.528719
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -100.373
flat angles C4'-P-C4' energy: -107.048
flat angles P-C4'-P energy: -78.991
tors. eta vs tors. theta energy: -141.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1619.624436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.624436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.624436 (E_RNA)
where:
Base-Base interactions energy: -1128.074
where: short stacking energy: -438.099
Base-Backbone interact. energy: -1.617
local terms energy: -489.932901
where:
bonds (distance) C4'-P energy: -91.573
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -112.659
flat angles P-C4'-P energy: -69.623
tors. eta vs tors. theta energy: -115.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1444.112064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.112064 (E_RNA)
where:
Base-Base interactions energy: -1007.001
where: short stacking energy: -412.898
Base-Backbone interact. energy: 0.233
local terms energy: -437.344023
where:
bonds (distance) C4'-P energy: -80.157
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -108.371
flat angles P-C4'-P energy: -65.974
tors. eta vs tors. theta energy: -93.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1419.480986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.480986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.480986 (E_RNA)
where:
Base-Base interactions energy: -996.066
where: short stacking energy: -413.521
Base-Backbone interact. energy: -2.768
local terms energy: -420.646758
where:
bonds (distance) C4'-P energy: -77.885
bonds (distance) P-C4' energy: -97.832
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -60.629
tors. eta vs tors. theta energy: -103.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1187.751414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.751414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.751414 (E_RNA)
where:
Base-Base interactions energy: -802.589
where: short stacking energy: -338.352
Base-Backbone interact. energy: -0.770
local terms energy: -384.392552
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -90.813
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -56.247
tors. eta vs tors. theta energy: -76.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -918.650823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.650823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.650823 (E_RNA)
where:
Base-Base interactions energy: -604.315
where: short stacking energy: -269.229
Base-Backbone interact. energy: 0.499
local terms energy: -314.834510
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -103.639
flat angles C4'-P-C4' energy: -57.888
flat angles P-C4'-P energy: -50.921
tors. eta vs tors. theta energy: -35.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1961.522257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.522257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.522257 (E_RNA)
where:
Base-Base interactions energy: -1356.337
where: short stacking energy: -581.391
Base-Backbone interact. energy: -2.620
local terms energy: -602.565246
where:
bonds (distance) C4'-P energy: -102.670
bonds (distance) P-C4' energy: -123.877
flat angles C4'-P-C4' energy: -128.904
flat angles P-C4'-P energy: -82.572
tors. eta vs tors. theta energy: -164.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1842.019321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.019321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.019321 (E_RNA)
where:
Base-Base interactions energy: -1275.204
where: short stacking energy: -541.236
Base-Backbone interact. energy: -2.125
local terms energy: -564.690313
where:
bonds (distance) C4'-P energy: -102.647
bonds (distance) P-C4' energy: -115.683
flat angles C4'-P-C4' energy: -125.898
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -134.382
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1764.573296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.573296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.573296 (E_RNA)
where:
Base-Base interactions energy: -1210.771
where: short stacking energy: -517.158
Base-Backbone interact. energy: -2.079
local terms energy: -551.722922
where:
bonds (distance) C4'-P energy: -109.061
bonds (distance) P-C4' energy: -103.107
flat angles C4'-P-C4' energy: -114.666
flat angles P-C4'-P energy: -77.231
tors. eta vs tors. theta energy: -147.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1763.948589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.948589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.948589 (E_RNA)
where:
Base-Base interactions energy: -1229.044
where: short stacking energy: -527.016
Base-Backbone interact. energy: -2.314
local terms energy: -532.590637
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -78.811
tors. eta vs tors. theta energy: -148.481
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: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1674.889781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.889781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.889781 (E_RNA)
where:
Base-Base interactions energy: -1185.980
where: short stacking energy: -486.504
Base-Backbone interact. energy: 2.104
local terms energy: -491.013990
where:
bonds (distance) C4'-P energy: -88.857
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -109.364
flat angles P-C4'-P energy: -62.986
tors. eta vs tors. theta energy: -134.951
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: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1608.314138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.314138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.314138 (E_RNA)
where:
Base-Base interactions energy: -1127.721
where: short stacking energy: -463.342
Base-Backbone interact. energy: -0.757
local terms energy: -479.835675
where:
bonds (distance) C4'-P energy: -98.546
bonds (distance) P-C4' energy: -67.096
flat angles C4'-P-C4' energy: -118.538
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -116.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1451.297492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.297492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.297492 (E_RNA)
where:
Base-Base interactions energy: -986.528
where: short stacking energy: -411.086
Base-Backbone interact. energy: -1.620
local terms energy: -463.148972
where:
bonds (distance) C4'-P energy: -101.283
bonds (distance) P-C4' energy: -97.765
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -98.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1397.181092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.181092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.181092 (E_RNA)
where:
Base-Base interactions energy: -961.231
where: short stacking energy: -379.986
Base-Backbone interact. energy: 2.914
local terms energy: -438.864381
where:
bonds (distance) C4'-P energy: -96.120
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -92.470
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1176.033250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.033250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.033250 (E_RNA)
where:
Base-Base interactions energy: -786.075
where: short stacking energy: -336.880
Base-Backbone interact. energy: -1.766
local terms energy: -388.192804
where:
bonds (distance) C4'-P energy: -70.459
bonds (distance) P-C4' energy: -91.238
flat angles C4'-P-C4' energy: -83.718
flat angles P-C4'-P energy: -61.331
tors. eta vs tors. theta energy: -81.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -916.381455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.381455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.381455 (E_RNA)
where:
Base-Base interactions energy: -561.022
where: short stacking energy: -241.442
Base-Backbone interact. energy: -1.237
local terms energy: -354.122527
where:
bonds (distance) C4'-P energy: -82.278
bonds (distance) P-C4' energy: -97.602
flat angles C4'-P-C4' energy: -81.792
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -31.138
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1970.014911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.014911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.014911 (E_RNA)
where:
Base-Base interactions energy: -1370.563
where: short stacking energy: -574.034
Base-Backbone interact. energy: -4.994
local terms energy: -594.457242
where:
bonds (distance) C4'-P energy: -113.453
bonds (distance) P-C4' energy: -102.603
flat angles C4'-P-C4' energy: -118.631
flat angles P-C4'-P energy: -88.181
tors. eta vs tors. theta energy: -171.590
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: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1866.885168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.885168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.885168 (E_RNA)
where:
Base-Base interactions energy: -1315.651
where: short stacking energy: -559.240
Base-Backbone interact. energy: -2.062
local terms energy: -549.172189
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -103.241
flat angles C4'-P-C4' energy: -123.197
flat angles P-C4'-P energy: -84.939
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: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1786.912538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.912538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.912538 (E_RNA)
where:
Base-Base interactions energy: -1267.346
where: short stacking energy: -526.626
Base-Backbone interact. energy: -3.766
local terms energy: -515.800462
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -98.422
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -80.526
tors. eta vs tors. theta energy: -147.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1748.085146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.085146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.085146 (E_RNA)
where:
Base-Base interactions energy: -1220.812
where: short stacking energy: -499.142
Base-Backbone interact. energy: 1.558
local terms energy: -528.830967
where:
bonds (distance) C4'-P energy: -104.675
bonds (distance) P-C4' energy: -96.125
flat angles C4'-P-C4' energy: -117.230
flat angles P-C4'-P energy: -79.151
tors. eta vs tors. theta energy: -131.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1615.577317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.577317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.577317 (E_RNA)
where:
Base-Base interactions energy: -1106.362
where: short stacking energy: -438.703
Base-Backbone interact. energy: -0.421
local terms energy: -508.794618
where:
bonds (distance) C4'-P energy: -91.327
bonds (distance) P-C4' energy: -112.809
flat angles C4'-P-C4' energy: -114.911
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: -116.985
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1622.955623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.955623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.955623 (E_RNA)
where:
Base-Base interactions energy: -1138.749
where: short stacking energy: -471.041
Base-Backbone interact. energy: 3.376
local terms energy: -487.582281
where:
bonds (distance) C4'-P energy: -92.058
bonds (distance) P-C4' energy: -100.003
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -74.686
tors. eta vs tors. theta energy: -115.817
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1462.332130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.332130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.332130 (E_RNA)
where:
Base-Base interactions energy: -1001.494
where: short stacking energy: -414.797
Base-Backbone interact. energy: -1.065
local terms energy: -459.772799
where:
bonds (distance) C4'-P energy: -85.380
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -105.044
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1455.645591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.645591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.645591 (E_RNA)
where:
Base-Base interactions energy: -1023.702
where: short stacking energy: -433.897
Base-Backbone interact. energy: -0.781
local terms energy: -431.162641
where:
bonds (distance) C4'-P energy: -87.081
bonds (distance) P-C4' energy: -85.024
flat angles C4'-P-C4' energy: -86.993
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -112.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1214.014192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.014192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.014192 (E_RNA)
where:
Base-Base interactions energy: -812.596
where: short stacking energy: -352.907
Base-Backbone interact. energy: 0.715
local terms energy: -402.132708
where:
bonds (distance) C4'-P energy: -86.136
bonds (distance) P-C4' energy: -87.927
flat angles C4'-P-C4' energy: -90.717
flat angles P-C4'-P energy: -55.991
tors. eta vs tors. theta energy: -81.362
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: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -923.993268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.993268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.993268 (E_RNA)
where:
Base-Base interactions energy: -566.570
where: short stacking energy: -272.491
Base-Backbone interact. energy: -0.430
local terms energy: -356.992726
where:
bonds (distance) C4'-P energy: -85.181
bonds (distance) P-C4' energy: -85.968
flat angles C4'-P-C4' energy: -91.645
flat angles P-C4'-P energy: -66.644
tors. eta vs tors. theta energy: -27.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1939.549669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.549669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.549669 (E_RNA)
where:
Base-Base interactions energy: -1349.214
where: short stacking energy: -577.314
Base-Backbone interact. energy: -0.721
local terms energy: -589.615407
where:
bonds (distance) C4'-P energy: -108.926
bonds (distance) P-C4' energy: -108.361
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -84.885
tors. eta vs tors. theta energy: -160.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1826.887025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.887025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.887025 (E_RNA)
where:
Base-Base interactions energy: -1284.706
where: short stacking energy: -523.551
Base-Backbone interact. energy: -2.707
local terms energy: -539.473527
where:
bonds (distance) C4'-P energy: -98.319
bonds (distance) P-C4' energy: -92.235
flat angles C4'-P-C4' energy: -117.701
flat angles P-C4'-P energy: -84.332
tors. eta vs tors. theta energy: -146.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1765.764402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.764402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.764402 (E_RNA)
where:
Base-Base interactions energy: -1218.964
where: short stacking energy: -527.977
Base-Backbone interact. energy: -3.577
local terms energy: -543.223248
where:
bonds (distance) C4'-P energy: -107.676
bonds (distance) P-C4' energy: -100.683
flat angles C4'-P-C4' energy: -119.828
flat angles P-C4'-P energy: -78.414
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: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1721.442002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.442002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.442002 (E_RNA)
where:
Base-Base interactions energy: -1204.606
where: short stacking energy: -502.572
Base-Backbone interact. energy: -1.949
local terms energy: -514.886800
where:
bonds (distance) C4'-P energy: -99.246
bonds (distance) P-C4' energy: -82.675
flat angles C4'-P-C4' energy: -119.803
flat angles P-C4'-P energy: -70.854
tors. eta vs tors. theta energy: -142.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1652.391317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.391317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.391317 (E_RNA)
where:
Base-Base interactions energy: -1151.743
where: short stacking energy: -451.655
Base-Backbone interact. energy: -0.565
local terms energy: -500.083350
where:
bonds (distance) C4'-P energy: -87.168
bonds (distance) P-C4' energy: -105.409
flat angles C4'-P-C4' energy: -105.276
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -125.065
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1659.185771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.185771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.185771 (E_RNA)
where:
Base-Base interactions energy: -1166.111
where: short stacking energy: -471.714
Base-Backbone interact. energy: -2.202
local terms energy: -490.872716
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -89.736
flat angles C4'-P-C4' energy: -99.587
flat angles P-C4'-P energy: -63.792
tors. eta vs tors. theta energy: -132.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1499.562783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.562783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.562783 (E_RNA)
where:
Base-Base interactions energy: -1042.363
where: short stacking energy: -427.194
Base-Backbone interact. energy: 3.261
local terms energy: -460.460843
where:
bonds (distance) C4'-P energy: -85.570
bonds (distance) P-C4' energy: -101.402
flat angles C4'-P-C4' energy: -99.633
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: -100.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1452.424999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.424999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.424999 (E_RNA)
where:
Base-Base interactions energy: -1037.367
where: short stacking energy: -451.088
Base-Backbone interact. energy: 0.704
local terms energy: -415.762210
where:
bonds (distance) C4'-P energy: -71.004
bonds (distance) P-C4' energy: -82.280
flat angles C4'-P-C4' energy: -90.647
flat angles P-C4'-P energy: -59.796
tors. eta vs tors. theta energy: -112.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1162.834659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.834659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.834659 (E_RNA)
where:
Base-Base interactions energy: -771.959
where: short stacking energy: -340.459
Base-Backbone interact. energy: -1.487
local terms energy: -389.388251
where:
bonds (distance) C4'-P energy: -89.538
bonds (distance) P-C4' energy: -71.578
flat angles C4'-P-C4' energy: -83.100
flat angles P-C4'-P energy: -65.675
tors. eta vs tors. theta energy: -79.497
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: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -870.987078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.987078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.987078 (E_RNA)
where:
Base-Base interactions energy: -572.009
where: short stacking energy: -287.385
Base-Backbone interact. energy: -0.553
local terms energy: -298.424714
where:
bonds (distance) C4'-P energy: -69.699
bonds (distance) P-C4' energy: -84.925
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -49.720
tors. eta vs tors. theta energy: -23.768
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: 50
Temperature: 0.900000
Total energy: -1925.060437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.060437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.060437 (E_RNA)
where:
Base-Base interactions energy: -1336.749
where: short stacking energy: -571.104
Base-Backbone interact. energy: -0.567
local terms energy: -587.745027
where:
bonds (distance) C4'-P energy: -109.526
bonds (distance) P-C4' energy: -108.982
flat angles C4'-P-C4' energy: -123.340
flat angles P-C4'-P energy: -88.951
tors. eta vs tors. theta energy: -156.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1834.501140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.501140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.501140 (E_RNA)
where:
Base-Base interactions energy: -1265.741
where: short stacking energy: -531.844
Base-Backbone interact. energy: -4.160
local terms energy: -564.600214
where:
bonds (distance) C4'-P energy: -105.554
bonds (distance) P-C4' energy: -112.796
flat angles C4'-P-C4' energy: -118.208
flat angles P-C4'-P energy: -81.579
tors. eta vs tors. theta energy: -146.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1786.690706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.690706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.690706 (E_RNA)
where:
Base-Base interactions energy: -1239.658
where: short stacking energy: -519.411
Base-Backbone interact. energy: -1.834
local terms energy: -545.199063
where:
bonds (distance) C4'-P energy: -101.423
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -115.145
flat angles P-C4'-P energy: -82.120
tors. eta vs tors. theta energy: -138.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1715.175883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.175883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.175883 (E_RNA)
where:
Base-Base interactions energy: -1178.118
where: short stacking energy: -499.721
Base-Backbone interact. energy: -1.958
local terms energy: -535.099191
where:
bonds (distance) C4'-P energy: -88.664
bonds (distance) P-C4' energy: -95.201
flat angles C4'-P-C4' energy: -119.704
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -153.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1623.062222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.062222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.062222 (E_RNA)
where:
Base-Base interactions energy: -1161.754
where: short stacking energy: -477.068
Base-Backbone interact. energy: -1.376
local terms energy: -459.931751
where:
bonds (distance) C4'-P energy: -84.329
bonds (distance) P-C4' energy: -74.455
flat angles C4'-P-C4' energy: -109.012
flat angles P-C4'-P energy: -69.288
tors. eta vs tors. theta energy: -122.846
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: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1628.106049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.106049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.106049 (E_RNA)
where:
Base-Base interactions energy: -1149.409
where: short stacking energy: -465.538
Base-Backbone interact. energy: 2.632
local terms energy: -481.329171
where:
bonds (distance) C4'-P energy: -93.299
bonds (distance) P-C4' energy: -93.631
flat angles C4'-P-C4' energy: -100.896
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -121.883
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1493.596668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.596668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.596668 (E_RNA)
where:
Base-Base interactions energy: -1041.499
where: short stacking energy: -429.947
Base-Backbone interact. energy: -0.679
local terms energy: -451.418255
where:
bonds (distance) C4'-P energy: -86.737
bonds (distance) P-C4' energy: -80.488
flat angles C4'-P-C4' energy: -104.729
flat angles P-C4'-P energy: -64.261
tors. eta vs tors. theta energy: -115.203
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1407.786761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.786761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.786761 (E_RNA)
where:
Base-Base interactions energy: -1003.516
where: short stacking energy: -411.412
Base-Backbone interact. energy: 3.428
local terms energy: -407.699243
where:
bonds (distance) C4'-P energy: -80.576
bonds (distance) P-C4' energy: -76.133
flat angles C4'-P-C4' energy: -104.019
flat angles P-C4'-P energy: -50.421
tors. eta vs tors. theta energy: -96.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1123.418511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.418511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.418511 (E_RNA)
where:
Base-Base interactions energy: -760.411
where: short stacking energy: -318.206
Base-Backbone interact. energy: -2.585
local terms energy: -360.422362
where:
bonds (distance) C4'-P energy: -93.419
bonds (distance) P-C4' energy: -84.488
flat angles C4'-P-C4' energy: -78.297
flat angles P-C4'-P energy: -49.252
tors. eta vs tors. theta energy: -54.965
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: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -856.593520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.593520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.593520 (E_RNA)
where:
Base-Base interactions energy: -532.003
where: short stacking energy: -235.211
Base-Backbone interact. energy: -3.746
local terms energy: -320.844523
where:
bonds (distance) C4'-P energy: -71.349
bonds (distance) P-C4' energy: -79.070
flat angles C4'-P-C4' energy: -86.987
flat angles P-C4'-P energy: -56.445
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1967.237354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.237354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.237354 (E_RNA)
where:
Base-Base interactions energy: -1375.385
where: short stacking energy: -586.152
Base-Backbone interact. energy: -2.069
local terms energy: -589.783177
where:
bonds (distance) C4'-P energy: -112.284
bonds (distance) P-C4' energy: -110.028
flat angles C4'-P-C4' energy: -119.798
flat angles P-C4'-P energy: -86.931
tors. eta vs tors. theta energy: -160.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1831.526522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.526522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.526522 (E_RNA)
where:
Base-Base interactions energy: -1270.113
where: short stacking energy: -519.162
Base-Backbone interact. energy: -1.769
local terms energy: -559.644657
where:
bonds (distance) C4'-P energy: -103.699
bonds (distance) P-C4' energy: -113.207
flat angles C4'-P-C4' energy: -120.798
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -144.626
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1754.346921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.346921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.346921 (E_RNA)
where:
Base-Base interactions energy: -1233.758
where: short stacking energy: -510.887
Base-Backbone interact. energy: 0.462
local terms energy: -521.050690
where:
bonds (distance) C4'-P energy: -103.835
bonds (distance) P-C4' energy: -113.980
flat angles C4'-P-C4' energy: -107.063
flat angles P-C4'-P energy: -72.134
tors. eta vs tors. theta energy: -124.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1623.193245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.193245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.193245 (E_RNA)
where:
Base-Base interactions energy: -1136.846
where: short stacking energy: -441.338
Base-Backbone interact. energy: -4.081
local terms energy: -482.265765
where:
bonds (distance) C4'-P energy: -93.367
bonds (distance) P-C4' energy: -99.919
flat angles C4'-P-C4' energy: -115.672
flat angles P-C4'-P energy: -69.859
tors. eta vs tors. theta energy: -103.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1661.750093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.750093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.750093 (E_RNA)
where:
Base-Base interactions energy: -1149.814
where: short stacking energy: -489.336
Base-Backbone interact. energy: -1.418
local terms energy: -510.518456
where:
bonds (distance) C4'-P energy: -89.280
bonds (distance) P-C4' energy: -101.510
flat angles C4'-P-C4' energy: -123.795
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -133.904
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1612.377893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.377893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.377893 (E_RNA)
where:
Base-Base interactions energy: -1150.373
where: short stacking energy: -458.487
Base-Backbone interact. energy: 0.733
local terms energy: -462.737289
where:
bonds (distance) C4'-P energy: -82.047
bonds (distance) P-C4' energy: -91.290
flat angles C4'-P-C4' energy: -103.899
flat angles P-C4'-P energy: -64.350
tors. eta vs tors. theta energy: -121.150
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: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1499.532695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.532695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.532695 (E_RNA)
where:
Base-Base interactions energy: -1021.109
where: short stacking energy: -412.655
Base-Backbone interact. energy: -3.579
local terms energy: -474.845246
where:
bonds (distance) C4'-P energy: -100.450
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -109.249
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -103.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1418.092184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.092184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.092184 (E_RNA)
where:
Base-Base interactions energy: -1004.896
where: short stacking energy: -405.772
Base-Backbone interact. energy: -2.070
local terms energy: -411.126077
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -85.556
flat angles C4'-P-C4' energy: -94.500
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: -92.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1168.517589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.517589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.517589 (E_RNA)
where:
Base-Base interactions energy: -757.290
where: short stacking energy: -318.573
Base-Backbone interact. energy: -0.651
local terms energy: -410.576280
where:
bonds (distance) C4'-P energy: -81.847
bonds (distance) P-C4' energy: -110.976
flat angles C4'-P-C4' energy: -91.083
flat angles P-C4'-P energy: -57.325
tors. eta vs tors. theta energy: -69.346
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: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -798.730870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.730870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.730870 (E_RNA)
where:
Base-Base interactions energy: -479.260
where: short stacking energy: -233.360
Base-Backbone interact. energy: 2.075
local terms energy: -321.546048
where:
bonds (distance) C4'-P energy: -92.313
bonds (distance) P-C4' energy: -70.597
flat angles C4'-P-C4' energy: -79.336
flat angles P-C4'-P energy: -64.414
tors. eta vs tors. theta energy: -14.886
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: 52
Temperature: 0.900000
Total energy: -1946.640024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.640024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.640024 (E_RNA)
where:
Base-Base interactions energy: -1350.523
where: short stacking energy: -572.434
Base-Backbone interact. energy: -1.513
local terms energy: -594.603429
where:
bonds (distance) C4'-P energy: -104.052
bonds (distance) P-C4' energy: -114.003
flat angles C4'-P-C4' energy: -128.769
flat angles P-C4'-P energy: -79.340
tors. eta vs tors. theta energy: -168.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1812.824813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.824813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.824813 (E_RNA)
where:
Base-Base interactions energy: -1261.377
where: short stacking energy: -557.112
Base-Backbone interact. energy: -1.246
local terms energy: -550.202150
where:
bonds (distance) C4'-P energy: -102.473
bonds (distance) P-C4' energy: -102.300
flat angles C4'-P-C4' energy: -130.117
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -140.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1782.775210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.775210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.775210 (E_RNA)
where:
Base-Base interactions energy: -1228.161
where: short stacking energy: -530.716
Base-Backbone interact. energy: -0.429
local terms energy: -554.185679
where:
bonds (distance) C4'-P energy: -105.634
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -132.112
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -138.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1698.616210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.616210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.616210 (E_RNA)
where:
Base-Base interactions energy: -1197.962
where: short stacking energy: -490.596
Base-Backbone interact. energy: -1.343
local terms energy: -499.311286
where:
bonds (distance) C4'-P energy: -91.555
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -120.356
flat angles P-C4'-P energy: -61.666
tors. eta vs tors. theta energy: -126.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1656.628648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.628648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.628648 (E_RNA)
where:
Base-Base interactions energy: -1155.311
where: short stacking energy: -482.496
Base-Backbone interact. energy: -2.339
local terms energy: -498.978141
where:
bonds (distance) C4'-P energy: -105.195
bonds (distance) P-C4' energy: -90.797
flat angles C4'-P-C4' energy: -105.406
flat angles P-C4'-P energy: -62.157
tors. eta vs tors. theta energy: -135.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1630.259670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.259670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.259670 (E_RNA)
where:
Base-Base interactions energy: -1138.354
where: short stacking energy: -481.642
Base-Backbone interact. energy: -0.536
local terms energy: -491.369947
where:
bonds (distance) C4'-P energy: -89.028
bonds (distance) P-C4' energy: -95.933
flat angles C4'-P-C4' energy: -108.815
flat angles P-C4'-P energy: -65.840
tors. eta vs tors. theta energy: -131.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1473.300464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.300464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.300464 (E_RNA)
where:
Base-Base interactions energy: -1048.709
where: short stacking energy: -426.315
Base-Backbone interact. energy: 1.706
local terms energy: -426.297421
where:
bonds (distance) C4'-P energy: -82.151
bonds (distance) P-C4' energy: -79.373
flat angles C4'-P-C4' energy: -98.036
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -118.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1439.755113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.755113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.755113 (E_RNA)
where:
Base-Base interactions energy: -994.989
where: short stacking energy: -428.181
Base-Backbone interact. energy: -1.299
local terms energy: -443.467555
where:
bonds (distance) C4'-P energy: -92.327
bonds (distance) P-C4' energy: -89.938
flat angles C4'-P-C4' energy: -86.413
flat angles P-C4'-P energy: -73.629
tors. eta vs tors. theta energy: -101.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1181.112814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.112814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.112814 (E_RNA)
where:
Base-Base interactions energy: -775.064
where: short stacking energy: -334.170
Base-Backbone interact. energy: -1.444
local terms energy: -404.605125
where:
bonds (distance) C4'-P energy: -86.599
bonds (distance) P-C4' energy: -102.831
flat angles C4'-P-C4' energy: -91.723
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -68.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -851.072517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.072517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.072517 (E_RNA)
where:
Base-Base interactions energy: -549.775
where: short stacking energy: -240.730
Base-Backbone interact. energy: -2.458
local terms energy: -298.839298
where:
bonds (distance) C4'-P energy: -71.850
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -90.480
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -32.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1938.721689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.721689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.721689 (E_RNA)
where:
Base-Base interactions energy: -1359.879
where: short stacking energy: -584.845
Base-Backbone interact. energy: -3.121
local terms energy: -575.721480
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -107.155
flat angles C4'-P-C4' energy: -128.249
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -162.498
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1840.342231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.342231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.342231 (E_RNA)
where:
Base-Base interactions energy: -1288.087
where: short stacking energy: -551.063
Base-Backbone interact. energy: -1.475
local terms energy: -550.780318
where:
bonds (distance) C4'-P energy: -99.508
bonds (distance) P-C4' energy: -108.891
flat angles C4'-P-C4' energy: -117.772
flat angles P-C4'-P energy: -81.397
tors. eta vs tors. theta energy: -143.212
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1786.173161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.173161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.173161 (E_RNA)
where:
Base-Base interactions energy: -1245.453
where: short stacking energy: -524.241
Base-Backbone interact. energy: 1.878
local terms energy: -542.597662
where:
bonds (distance) C4'-P energy: -95.259
bonds (distance) P-C4' energy: -86.051
flat angles C4'-P-C4' energy: -120.859
flat angles P-C4'-P energy: -88.651
tors. eta vs tors. theta energy: -151.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1726.345309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.345309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.345309 (E_RNA)
where:
Base-Base interactions energy: -1206.653
where: short stacking energy: -494.520
Base-Backbone interact. energy: -3.229
local terms energy: -516.463504
where:
bonds (distance) C4'-P energy: -88.101
bonds (distance) P-C4' energy: -113.983
flat angles C4'-P-C4' energy: -119.429
flat angles P-C4'-P energy: -61.975
tors. eta vs tors. theta energy: -132.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1699.022432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.022432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.022432 (E_RNA)
where:
Base-Base interactions energy: -1161.877
where: short stacking energy: -494.962
Base-Backbone interact. energy: -4.030
local terms energy: -533.115622
where:
bonds (distance) C4'-P energy: -107.561
bonds (distance) P-C4' energy: -97.075
flat angles C4'-P-C4' energy: -119.455
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -133.506
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: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1618.125031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.125031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.125031 (E_RNA)
where:
Base-Base interactions energy: -1126.358
where: short stacking energy: -471.091
Base-Backbone interact. energy: 3.688
local terms energy: -495.454938
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -102.592
flat angles P-C4'-P energy: -71.741
tors. eta vs tors. theta energy: -120.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1464.050631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.050631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.050631 (E_RNA)
where:
Base-Base interactions energy: -996.596
where: short stacking energy: -442.627
Base-Backbone interact. energy: -1.368
local terms energy: -466.086923
where:
bonds (distance) C4'-P energy: -98.692
bonds (distance) P-C4' energy: -93.862
flat angles C4'-P-C4' energy: -99.317
flat angles P-C4'-P energy: -63.774
tors. eta vs tors. theta energy: -110.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1470.031011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.031011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.031011 (E_RNA)
where:
Base-Base interactions energy: -1041.866
where: short stacking energy: -422.980
Base-Backbone interact. energy: -1.821
local terms energy: -426.344488
where:
bonds (distance) C4'-P energy: -76.654
bonds (distance) P-C4' energy: -94.767
flat angles C4'-P-C4' energy: -102.517
flat angles P-C4'-P energy: -53.164
tors. eta vs tors. theta energy: -99.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1184.550020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.550020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.550020 (E_RNA)
where:
Base-Base interactions energy: -771.518
where: short stacking energy: -336.333
Base-Backbone interact. energy: 4.494
local terms energy: -417.525928
where:
bonds (distance) C4'-P energy: -97.805
bonds (distance) P-C4' energy: -84.854
flat angles C4'-P-C4' energy: -101.264
flat angles P-C4'-P energy: -59.997
tors. eta vs tors. theta energy: -73.606
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: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -834.787777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.787777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.787777 (E_RNA)
where:
Base-Base interactions energy: -521.072
where: short stacking energy: -224.922
Base-Backbone interact. energy: -0.777
local terms energy: -312.938751
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -97.708
flat angles C4'-P-C4' energy: -85.134
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -20.616
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: 54
Temperature: 0.900000
Total energy: -1947.697196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.697196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.697196 (E_RNA)
where:
Base-Base interactions energy: -1357.919
where: short stacking energy: -571.669
Base-Backbone interact. energy: -2.509
local terms energy: -587.268704
where:
bonds (distance) C4'-P energy: -99.845
bonds (distance) P-C4' energy: -105.719
flat angles C4'-P-C4' energy: -121.005
flat angles P-C4'-P energy: -85.626
tors. eta vs tors. theta energy: -175.074
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1855.693075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.693075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.693075 (E_RNA)
where:
Base-Base interactions energy: -1295.096
where: short stacking energy: -551.610
Base-Backbone interact. energy: -2.277
local terms energy: -558.320432
where:
bonds (distance) C4'-P energy: -105.876
bonds (distance) P-C4' energy: -107.810
flat angles C4'-P-C4' energy: -114.912
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -151.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1737.684723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.684723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.684723 (E_RNA)
where:
Base-Base interactions energy: -1219.750
where: short stacking energy: -504.498
Base-Backbone interact. energy: 2.242
local terms energy: -520.176817
where:
bonds (distance) C4'-P energy: -95.775
bonds (distance) P-C4' energy: -106.450
flat angles C4'-P-C4' energy: -114.533
flat angles P-C4'-P energy: -78.002
tors. eta vs tors. theta energy: -125.416
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: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1705.507315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.507315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.507315 (E_RNA)
where:
Base-Base interactions energy: -1184.561
where: short stacking energy: -512.996
Base-Backbone interact. energy: -3.425
local terms energy: -517.521597
where:
bonds (distance) C4'-P energy: -100.809
bonds (distance) P-C4' energy: -80.529
flat angles C4'-P-C4' energy: -124.091
flat angles P-C4'-P energy: -82.657
tors. eta vs tors. theta energy: -129.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1619.526168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.526168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.526168 (E_RNA)
where:
Base-Base interactions energy: -1119.649
where: short stacking energy: -462.206
Base-Backbone interact. energy: -3.643
local terms energy: -496.234787
where:
bonds (distance) C4'-P energy: -85.079
bonds (distance) P-C4' energy: -94.342
flat angles C4'-P-C4' energy: -103.768
flat angles P-C4'-P energy: -90.143
tors. eta vs tors. theta energy: -122.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1581.096618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.096618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.096618 (E_RNA)
where:
Base-Base interactions energy: -1077.046
where: short stacking energy: -437.165
Base-Backbone interact. energy: -1.056
local terms energy: -502.994911
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -112.307
flat angles C4'-P-C4' energy: -108.950
flat angles P-C4'-P energy: -67.185
tors. eta vs tors. theta energy: -113.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1470.668205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.668205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.668205 (E_RNA)
where:
Base-Base interactions energy: -1014.739
where: short stacking energy: -407.855
Base-Backbone interact. energy: 2.797
local terms energy: -458.725597
where:
bonds (distance) C4'-P energy: -89.569
bonds (distance) P-C4' energy: -85.029
flat angles C4'-P-C4' energy: -100.378
flat angles P-C4'-P energy: -84.420
tors. eta vs tors. theta energy: -99.329
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: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1438.936649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.936649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.936649 (E_RNA)
where:
Base-Base interactions energy: -978.618
where: short stacking energy: -391.617
Base-Backbone interact. energy: -0.185
local terms energy: -460.133597
where:
bonds (distance) C4'-P energy: -87.593
bonds (distance) P-C4' energy: -104.866
flat angles C4'-P-C4' energy: -109.693
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -103.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1165.443331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.443331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.443331 (E_RNA)
where:
Base-Base interactions energy: -780.258
where: short stacking energy: -326.448
Base-Backbone interact. energy: -0.477
local terms energy: -384.708354
where:
bonds (distance) C4'-P energy: -88.797
bonds (distance) P-C4' energy: -86.907
flat angles C4'-P-C4' energy: -91.116
flat angles P-C4'-P energy: -68.349
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -857.466502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.466502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.466502 (E_RNA)
where:
Base-Base interactions energy: -520.167
where: short stacking energy: -226.736
Base-Backbone interact. energy: -3.921
local terms energy: -333.378475
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -83.802
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1915.861514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.861514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.861514 (E_RNA)
where:
Base-Base interactions energy: -1345.131
where: short stacking energy: -578.922
Base-Backbone interact. energy: -1.222
local terms energy: -569.508267
where:
bonds (distance) C4'-P energy: -100.330
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -126.630
flat angles P-C4'-P energy: -74.566
tors. eta vs tors. theta energy: -156.996
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: 55
Temperature: 0.950000
Total energy: -1834.750858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.750858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.750858 (E_RNA)
where:
Base-Base interactions energy: -1305.300
where: short stacking energy: -535.956
Base-Backbone interact. energy: -2.547
local terms energy: -526.904238
where:
bonds (distance) C4'-P energy: -90.544
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -73.866
tors. eta vs tors. theta energy: -145.964
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: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1782.314178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.314178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.314178 (E_RNA)
where:
Base-Base interactions energy: -1232.153
where: short stacking energy: -515.612
Base-Backbone interact. energy: -2.113
local terms energy: -548.048872
where:
bonds (distance) C4'-P energy: -107.940
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -120.262
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -142.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1733.912107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.912107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.912107 (E_RNA)
where:
Base-Base interactions energy: -1217.410
where: short stacking energy: -511.756
Base-Backbone interact. energy: -0.895
local terms energy: -515.607535
where:
bonds (distance) C4'-P energy: -99.085
bonds (distance) P-C4' energy: -98.947
flat angles C4'-P-C4' energy: -112.621
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -134.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1657.863860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.863860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.863860 (E_RNA)
where:
Base-Base interactions energy: -1176.894
where: short stacking energy: -489.874
Base-Backbone interact. energy: -0.300
local terms energy: -480.670013
where:
bonds (distance) C4'-P energy: -76.066
bonds (distance) P-C4' energy: -98.206
flat angles C4'-P-C4' energy: -113.923
flat angles P-C4'-P energy: -66.972
tors. eta vs tors. theta energy: -125.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1571.526323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.526323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.526323 (E_RNA)
where:
Base-Base interactions energy: -1100.072
where: short stacking energy: -447.856
Base-Backbone interact. energy: -2.592
local terms energy: -468.862606
where:
bonds (distance) C4'-P energy: -81.025
bonds (distance) P-C4' energy: -91.787
flat angles C4'-P-C4' energy: -107.245
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: -124.833
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: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1489.842885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.842885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.842885 (E_RNA)
where:
Base-Base interactions energy: -1039.609
where: short stacking energy: -420.724
Base-Backbone interact. energy: 2.564
local terms energy: -452.797626
where:
bonds (distance) C4'-P energy: -92.029
bonds (distance) P-C4' energy: -95.524
flat angles C4'-P-C4' energy: -91.242
flat angles P-C4'-P energy: -69.240
tors. eta vs tors. theta energy: -104.762
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: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1453.059776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.059776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.059776 (E_RNA)
where:
Base-Base interactions energy: -989.250
where: short stacking energy: -397.576
Base-Backbone interact. energy: -1.288
local terms energy: -462.521549
where:
bonds (distance) C4'-P energy: -92.772
bonds (distance) P-C4' energy: -102.102
flat angles C4'-P-C4' energy: -98.745
flat angles P-C4'-P energy: -66.835
tors. eta vs tors. theta energy: -102.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1099.641484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.641484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.641484 (E_RNA)
where:
Base-Base interactions energy: -702.422
where: short stacking energy: -306.341
Base-Backbone interact. energy: 3.473
local terms energy: -400.693258
where:
bonds (distance) C4'-P energy: -82.483
bonds (distance) P-C4' energy: -101.799
flat angles C4'-P-C4' energy: -98.500
flat angles P-C4'-P energy: -64.688
tors. eta vs tors. theta energy: -53.224
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: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -900.839576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.839576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.839576 (E_RNA)
where:
Base-Base interactions energy: -553.783
where: short stacking energy: -239.168
Base-Backbone interact. energy: -1.699
local terms energy: -345.357848
where:
bonds (distance) C4'-P energy: -82.391
bonds (distance) P-C4' energy: -94.814
flat angles C4'-P-C4' energy: -84.648
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -29.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1919.870064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.870064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.870064 (E_RNA)
where:
Base-Base interactions energy: -1328.394
where: short stacking energy: -587.703
Base-Backbone interact. energy: -1.996
local terms energy: -589.480590
where:
bonds (distance) C4'-P energy: -111.835
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -123.623
flat angles P-C4'-P energy: -87.357
tors. eta vs tors. theta energy: -163.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1856.483789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.483789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.483789 (E_RNA)
where:
Base-Base interactions energy: -1292.492
where: short stacking energy: -558.959
Base-Backbone interact. energy: -1.820
local terms energy: -562.171927
where:
bonds (distance) C4'-P energy: -109.920
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -121.823
flat angles P-C4'-P energy: -77.163
tors. eta vs tors. theta energy: -150.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1741.239598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.239598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.239598 (E_RNA)
where:
Base-Base interactions energy: -1206.349
where: short stacking energy: -527.283
Base-Backbone interact. energy: -1.037
local terms energy: -533.853726
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -106.231
flat angles C4'-P-C4' energy: -115.981
flat angles P-C4'-P energy: -79.105
tors. eta vs tors. theta energy: -138.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1756.606223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.606223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.606223 (E_RNA)
where:
Base-Base interactions energy: -1242.567
where: short stacking energy: -530.859
Base-Backbone interact. energy: -0.218
local terms energy: -513.820741
where:
bonds (distance) C4'-P energy: -101.342
bonds (distance) P-C4' energy: -106.673
flat angles C4'-P-C4' energy: -99.267
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -143.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1641.048771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.048771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.048771 (E_RNA)
where:
Base-Base interactions energy: -1155.020
where: short stacking energy: -457.680
Base-Backbone interact. energy: -0.392
local terms energy: -485.636370
where:
bonds (distance) C4'-P energy: -95.857
bonds (distance) P-C4' energy: -90.547
flat angles C4'-P-C4' energy: -112.999
flat angles P-C4'-P energy: -61.018
tors. eta vs tors. theta energy: -125.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1604.716284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.716284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.716284 (E_RNA)
where:
Base-Base interactions energy: -1134.425
where: short stacking energy: -452.901
Base-Backbone interact. energy: 1.445
local terms energy: -471.736381
where:
bonds (distance) C4'-P energy: -87.552
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -104.989
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: -105.241
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: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1496.511029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.511029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.511029 (E_RNA)
where:
Base-Base interactions energy: -1043.487
where: short stacking energy: -431.743
Base-Backbone interact. energy: -2.692
local terms energy: -450.332041
where:
bonds (distance) C4'-P energy: -84.898
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -104.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1476.406417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.406417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.406417 (E_RNA)
where:
Base-Base interactions energy: -1056.461
where: short stacking energy: -439.680
Base-Backbone interact. energy: -1.207
local terms energy: -418.737895
where:
bonds (distance) C4'-P energy: -74.606
bonds (distance) P-C4' energy: -82.107
flat angles C4'-P-C4' energy: -105.935
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -105.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1112.291683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.291683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.291683 (E_RNA)
where:
Base-Base interactions energy: -765.962
where: short stacking energy: -327.991
Base-Backbone interact. energy: 2.760
local terms energy: -349.089824
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -81.695
flat angles C4'-P-C4' energy: -93.124
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -826.652113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.652113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.652113 (E_RNA)
where:
Base-Base interactions energy: -503.269
where: short stacking energy: -233.765
Base-Backbone interact. energy: -3.112
local terms energy: -320.270450
where:
bonds (distance) C4'-P energy: -86.044
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -57.229
tors. eta vs tors. theta energy: -24.768
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: 57
Temperature: 0.900000
Total energy: -1922.710148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.710148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.710148 (E_RNA)
where:
Base-Base interactions energy: -1315.395
where: short stacking energy: -571.217
Base-Backbone interact. energy: -1.675
local terms energy: -605.641060
where:
bonds (distance) C4'-P energy: -104.227
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -135.837
flat angles P-C4'-P energy: -78.218
tors. eta vs tors. theta energy: -167.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1862.732111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.732111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.732111 (E_RNA)
where:
Base-Base interactions energy: -1307.758
where: short stacking energy: -533.621
Base-Backbone interact. energy: -0.164
local terms energy: -554.809641
where:
bonds (distance) C4'-P energy: -105.765
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -121.441
flat angles P-C4'-P energy: -83.189
tors. eta vs tors. theta energy: -139.940
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: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1767.491640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.491640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.491640 (E_RNA)
where:
Base-Base interactions energy: -1215.298
where: short stacking energy: -517.710
Base-Backbone interact. energy: -2.643
local terms energy: -549.550509
where:
bonds (distance) C4'-P energy: -98.019
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -130.666
flat angles P-C4'-P energy: -81.591
tors. eta vs tors. theta energy: -141.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1725.971109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.971109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.971109 (E_RNA)
where:
Base-Base interactions energy: -1216.956
where: short stacking energy: -511.903
Base-Backbone interact. energy: -1.483
local terms energy: -507.531415
where:
bonds (distance) C4'-P energy: -93.011
bonds (distance) P-C4' energy: -94.867
flat angles C4'-P-C4' energy: -109.926
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -137.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1671.631697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.631697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.631697 (E_RNA)
where:
Base-Base interactions energy: -1146.375
where: short stacking energy: -487.155
Base-Backbone interact. energy: 0.545
local terms energy: -525.801493
where:
bonds (distance) C4'-P energy: -96.842
bonds (distance) P-C4' energy: -106.633
flat angles C4'-P-C4' energy: -119.682
flat angles P-C4'-P energy: -66.775
tors. eta vs tors. theta energy: -135.871
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1629.031107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.031107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.031107 (E_RNA)
where:
Base-Base interactions energy: -1134.720
where: short stacking energy: -450.258
Base-Backbone interact. energy: -3.749
local terms energy: -490.562170
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -90.828
flat angles C4'-P-C4' energy: -96.652
flat angles P-C4'-P energy: -73.721
tors. eta vs tors. theta energy: -118.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1479.664291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.664291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.664291 (E_RNA)
where:
Base-Base interactions energy: -1011.119
where: short stacking energy: -403.483
Base-Backbone interact. energy: -0.499
local terms energy: -468.045770
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -91.237
flat angles C4'-P-C4' energy: -113.212
flat angles P-C4'-P energy: -67.996
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: 57
Temperature: 1.250000
Total energy: -1460.399843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.399843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.399843 (E_RNA)
where:
Base-Base interactions energy: -1024.286
where: short stacking energy: -403.553
Base-Backbone interact. energy: -0.664
local terms energy: -435.449964
where:
bonds (distance) C4'-P energy: -81.580
bonds (distance) P-C4' energy: -93.316
flat angles C4'-P-C4' energy: -103.496
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -99.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1089.790647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.790647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.790647 (E_RNA)
where:
Base-Base interactions energy: -715.471
where: short stacking energy: -301.590
Base-Backbone interact. energy: -1.434
local terms energy: -372.885992
where:
bonds (distance) C4'-P energy: -80.451
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -94.123
flat angles P-C4'-P energy: -51.906
tors. eta vs tors. theta energy: -54.927
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: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -805.389256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.389256 (E_RNA)
where:
Base-Base interactions energy: -510.829
where: short stacking energy: -235.238
Base-Backbone interact. energy: -1.047
local terms energy: -293.512645
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -87.074
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1928.571002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.571002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.571002 (E_RNA)
where:
Base-Base interactions energy: -1321.710
where: short stacking energy: -578.601
Base-Backbone interact. energy: -3.120
local terms energy: -603.740305
where:
bonds (distance) C4'-P energy: -91.964
bonds (distance) P-C4' energy: -127.595
flat angles C4'-P-C4' energy: -134.571
flat angles P-C4'-P energy: -75.406
tors. eta vs tors. theta energy: -174.204
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1845.121013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.121013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.121013 (E_RNA)
where:
Base-Base interactions energy: -1310.866
where: short stacking energy: -548.901
Base-Backbone interact. energy: -4.951
local terms energy: -529.304454
where:
bonds (distance) C4'-P energy: -97.718
bonds (distance) P-C4' energy: -96.904
flat angles C4'-P-C4' energy: -107.234
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -143.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1817.826630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.826630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.826630 (E_RNA)
where:
Base-Base interactions energy: -1264.953
where: short stacking energy: -548.408
Base-Backbone interact. energy: -3.178
local terms energy: -549.695569
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -110.885
flat angles C4'-P-C4' energy: -114.289
flat angles P-C4'-P energy: -80.700
tors. eta vs tors. theta energy: -144.861
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: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1761.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.243881 (E_RNA)
where:
Base-Base interactions energy: -1228.491
where: short stacking energy: -519.812
Base-Backbone interact. energy: -3.695
local terms energy: -529.058046
where:
bonds (distance) C4'-P energy: -103.267
bonds (distance) P-C4' energy: -99.327
flat angles C4'-P-C4' energy: -107.804
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -145.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1707.403845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.403845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.403845 (E_RNA)
where:
Base-Base interactions energy: -1201.976
where: short stacking energy: -488.497
Base-Backbone interact. energy: 1.130
local terms energy: -506.558166
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -117.929
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -130.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1600.179548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.179548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.179548 (E_RNA)
where:
Base-Base interactions energy: -1147.313
where: short stacking energy: -457.022
Base-Backbone interact. energy: 0.098
local terms energy: -452.964838
where:
bonds (distance) C4'-P energy: -75.865
bonds (distance) P-C4' energy: -96.128
flat angles C4'-P-C4' energy: -102.802
flat angles P-C4'-P energy: -64.554
tors. eta vs tors. theta energy: -113.616
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: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1491.754549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.754549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.754549 (E_RNA)
where:
Base-Base interactions energy: -1036.778
where: short stacking energy: -438.608
Base-Backbone interact. energy: 0.446
local terms energy: -455.421962
where:
bonds (distance) C4'-P energy: -80.703
bonds (distance) P-C4' energy: -87.171
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -71.597
tors. eta vs tors. theta energy: -109.211
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: 58
Temperature: 1.250000
Total energy: -1428.590018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.590018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.590018 (E_RNA)
where:
Base-Base interactions energy: -967.687
where: short stacking energy: -408.594
Base-Backbone interact. energy: -2.876
local terms energy: -458.026776
where:
bonds (distance) C4'-P energy: -96.087
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -112.440
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -98.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1175.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.436447 (E_RNA)
where:
Base-Base interactions energy: -770.424
where: short stacking energy: -351.921
Base-Backbone interact. energy: -1.584
local terms energy: -403.428021
where:
bonds (distance) C4'-P energy: -75.961
bonds (distance) P-C4' energy: -92.950
flat angles C4'-P-C4' energy: -101.103
flat angles P-C4'-P energy: -53.236
tors. eta vs tors. theta energy: -80.179
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: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -783.574581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.574581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.574581 (E_RNA)
where:
Base-Base interactions energy: -455.650
where: short stacking energy: -245.045
Base-Backbone interact. energy: -0.461
local terms energy: -327.464345
where:
bonds (distance) C4'-P energy: -77.181
bonds (distance) P-C4' energy: -83.881
flat angles C4'-P-C4' energy: -81.613
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1931.237106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.237106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.237106 (E_RNA)
where:
Base-Base interactions energy: -1352.509
where: short stacking energy: -584.594
Base-Backbone interact. energy: -3.249
local terms energy: -575.479102
where:
bonds (distance) C4'-P energy: -95.448
bonds (distance) P-C4' energy: -108.981
flat angles C4'-P-C4' energy: -117.142
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -171.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1840.834267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.834267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.834267 (E_RNA)
where:
Base-Base interactions energy: -1293.754
where: short stacking energy: -544.414
Base-Backbone interact. energy: 1.064
local terms energy: -548.145096
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -114.612
flat angles P-C4'-P energy: -69.995
tors. eta vs tors. theta energy: -141.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1817.311911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.311911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.311911 (E_RNA)
where:
Base-Base interactions energy: -1286.376
where: short stacking energy: -542.386
Base-Backbone interact. energy: -3.481
local terms energy: -527.455694
where:
bonds (distance) C4'-P energy: -97.016
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -119.442
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -135.616
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1706.298173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.298173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.298173 (E_RNA)
where:
Base-Base interactions energy: -1198.404
where: short stacking energy: -485.032
Base-Backbone interact. energy: -3.115
local terms energy: -504.779342
where:
bonds (distance) C4'-P energy: -86.958
bonds (distance) P-C4' energy: -110.450
flat angles C4'-P-C4' energy: -105.884
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -128.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1679.564567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.564567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.564567 (E_RNA)
where:
Base-Base interactions energy: -1177.277
where: short stacking energy: -491.148
Base-Backbone interact. energy: -3.299
local terms energy: -498.988357
where:
bonds (distance) C4'-P energy: -74.505
bonds (distance) P-C4' energy: -96.902
flat angles C4'-P-C4' energy: -113.784
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -136.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1639.601175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.601175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.601175 (E_RNA)
where:
Base-Base interactions energy: -1177.868
where: short stacking energy: -488.662
Base-Backbone interact. energy: 1.197
local terms energy: -462.929353
where:
bonds (distance) C4'-P energy: -86.786
bonds (distance) P-C4' energy: -83.929
flat angles C4'-P-C4' energy: -102.323
flat angles P-C4'-P energy: -56.528
tors. eta vs tors. theta energy: -133.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1517.442702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.442702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.442702 (E_RNA)
where:
Base-Base interactions energy: -1061.630
where: short stacking energy: -429.118
Base-Backbone interact. energy: 5.782
local terms energy: -461.594455
where:
bonds (distance) C4'-P energy: -101.934
bonds (distance) P-C4' energy: -94.546
flat angles C4'-P-C4' energy: -95.730
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -101.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1429.071096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.071096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.071096 (E_RNA)
where:
Base-Base interactions energy: -976.834
where: short stacking energy: -415.590
Base-Backbone interact. energy: -1.886
local terms energy: -450.351792
where:
bonds (distance) C4'-P energy: -85.783
bonds (distance) P-C4' energy: -86.076
flat angles C4'-P-C4' energy: -107.628
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -95.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1115.739665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.739665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.739665 (E_RNA)
where:
Base-Base interactions energy: -745.148
where: short stacking energy: -324.025
Base-Backbone interact. energy: 4.052
local terms energy: -374.644392
where:
bonds (distance) C4'-P energy: -92.110
bonds (distance) P-C4' energy: -89.691
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -63.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -834.209562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.209562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.209562 (E_RNA)
where:
Base-Base interactions energy: -493.231
where: short stacking energy: -238.386
Base-Backbone interact. energy: -1.195
local terms energy: -339.784095
where:
bonds (distance) C4'-P energy: -78.546
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -84.465
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1916.519655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.519655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.519655 (E_RNA)
where:
Base-Base interactions energy: -1313.145
where: short stacking energy: -561.854
Base-Backbone interact. energy: -2.000
local terms energy: -601.375508
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -133.140
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -166.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1872.152838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.152838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.152838 (E_RNA)
where:
Base-Base interactions energy: -1323.209
where: short stacking energy: -546.648
Base-Backbone interact. energy: -1.795
local terms energy: -547.148326
where:
bonds (distance) C4'-P energy: -107.970
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -117.880
flat angles P-C4'-P energy: -74.145
tors. eta vs tors. theta energy: -152.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1802.958080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.958080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.958080 (E_RNA)
where:
Base-Base interactions energy: -1269.604
where: short stacking energy: -525.606
Base-Backbone interact. energy: -1.202
local terms energy: -532.152482
where:
bonds (distance) C4'-P energy: -85.860
bonds (distance) P-C4' energy: -97.544
flat angles C4'-P-C4' energy: -119.827
flat angles P-C4'-P energy: -85.722
tors. eta vs tors. theta energy: -143.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1722.643388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.643388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.643388 (E_RNA)
where:
Base-Base interactions energy: -1212.570
where: short stacking energy: -511.115
Base-Backbone interact. energy: 0.004
local terms energy: -510.076705
where:
bonds (distance) C4'-P energy: -94.419
bonds (distance) P-C4' energy: -100.796
flat angles C4'-P-C4' energy: -94.431
flat angles P-C4'-P energy: -81.876
tors. eta vs tors. theta energy: -138.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1699.352587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.352587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.352587 (E_RNA)
where:
Base-Base interactions energy: -1188.204
where: short stacking energy: -494.298
Base-Backbone interact. energy: -2.419
local terms energy: -508.729516
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -88.018
flat angles C4'-P-C4' energy: -109.334
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -145.448
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1582.024977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.024977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.024977 (E_RNA)
where:
Base-Base interactions energy: -1138.486
where: short stacking energy: -471.008
Base-Backbone interact. energy: -0.794
local terms energy: -442.744427
where:
bonds (distance) C4'-P energy: -90.263
bonds (distance) P-C4' energy: -82.141
flat angles C4'-P-C4' energy: -108.929
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -114.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1480.473307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.473307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.473307 (E_RNA)
where:
Base-Base interactions energy: -1027.239
where: short stacking energy: -437.842
Base-Backbone interact. energy: 5.055
local terms energy: -458.289377
where:
bonds (distance) C4'-P energy: -77.423
bonds (distance) P-C4' energy: -96.494
flat angles C4'-P-C4' energy: -99.036
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -114.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1406.382020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.382020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.382020 (E_RNA)
where:
Base-Base interactions energy: -998.778
where: short stacking energy: -412.604
Base-Backbone interact. energy: -3.320
local terms energy: -404.283644
where:
bonds (distance) C4'-P energy: -85.392
bonds (distance) P-C4' energy: -84.442
flat angles C4'-P-C4' energy: -92.511
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -80.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1136.479811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.479811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.479811 (E_RNA)
where:
Base-Base interactions energy: -765.727
where: short stacking energy: -344.215
Base-Backbone interact. energy: -0.042
local terms energy: -370.710610
where:
bonds (distance) C4'-P energy: -88.109
bonds (distance) P-C4' energy: -84.724
flat angles C4'-P-C4' energy: -88.113
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: -53.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -841.935242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.935242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.935242 (E_RNA)
where:
Base-Base interactions energy: -507.647
where: short stacking energy: -227.144
Base-Backbone interact. energy: 0.306
local terms energy: -334.594296
where:
bonds (distance) C4'-P energy: -78.047
bonds (distance) P-C4' energy: -77.484
flat angles C4'-P-C4' energy: -93.108
flat angles P-C4'-P energy: -45.095
tors. eta vs tors. theta energy: -40.860
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: 61
Temperature: 0.900000
Total energy: -1926.197730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.197730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.197730 (E_RNA)
where:
Base-Base interactions energy: -1340.372
where: short stacking energy: -583.126
Base-Backbone interact. energy: -1.369
local terms energy: -584.456914
where:
bonds (distance) C4'-P energy: -108.443
bonds (distance) P-C4' energy: -103.599
flat angles C4'-P-C4' energy: -124.887
flat angles P-C4'-P energy: -85.182
tors. eta vs tors. theta energy: -162.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1869.873931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.873931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.873931 (E_RNA)
where:
Base-Base interactions energy: -1304.858
where: short stacking energy: -566.241
Base-Backbone interact. energy: -2.943
local terms energy: -562.072384
where:
bonds (distance) C4'-P energy: -103.780
bonds (distance) P-C4' energy: -105.925
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -81.528
tors. eta vs tors. theta energy: -148.421
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1790.654661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.654661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.654661 (E_RNA)
where:
Base-Base interactions energy: -1249.695
where: short stacking energy: -528.350
Base-Backbone interact. energy: -3.376
local terms energy: -537.583281
where:
bonds (distance) C4'-P energy: -95.803
bonds (distance) P-C4' energy: -94.781
flat angles C4'-P-C4' energy: -119.801
flat angles P-C4'-P energy: -84.061
tors. eta vs tors. theta energy: -143.137
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1755.299499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.299499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.299499 (E_RNA)
where:
Base-Base interactions energy: -1227.213
where: short stacking energy: -519.548
Base-Backbone interact. energy: -2.499
local terms energy: -525.587528
where:
bonds (distance) C4'-P energy: -90.568
bonds (distance) P-C4' energy: -103.602
flat angles C4'-P-C4' energy: -113.003
flat angles P-C4'-P energy: -77.914
tors. eta vs tors. theta energy: -140.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1718.618682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.618682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.618682 (E_RNA)
where:
Base-Base interactions energy: -1211.014
where: short stacking energy: -493.077
Base-Backbone interact. energy: -0.903
local terms energy: -506.702539
where:
bonds (distance) C4'-P energy: -90.434
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -122.765
flat angles P-C4'-P energy: -64.327
tors. eta vs tors. theta energy: -136.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1613.695021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.695021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.695021 (E_RNA)
where:
Base-Base interactions energy: -1123.398
where: short stacking energy: -450.678
Base-Backbone interact. energy: -2.513
local terms energy: -487.783895
where:
bonds (distance) C4'-P energy: -100.183
bonds (distance) P-C4' energy: -80.978
flat angles C4'-P-C4' energy: -105.308
flat angles P-C4'-P energy: -77.047
tors. eta vs tors. theta energy: -124.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1480.795870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.795870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.795870 (E_RNA)
where:
Base-Base interactions energy: -997.239
where: short stacking energy: -406.560
Base-Backbone interact. energy: -0.311
local terms energy: -483.245927
where:
bonds (distance) C4'-P energy: -76.797
bonds (distance) P-C4' energy: -103.897
flat angles C4'-P-C4' energy: -106.853
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -106.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1460.347887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.347887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.347887 (E_RNA)
where:
Base-Base interactions energy: -1025.239
where: short stacking energy: -404.886
Base-Backbone interact. energy: 1.874
local terms energy: -436.982769
where:
bonds (distance) C4'-P energy: -83.514
bonds (distance) P-C4' energy: -91.483
flat angles C4'-P-C4' energy: -101.634
flat angles P-C4'-P energy: -62.031
tors. eta vs tors. theta energy: -98.321
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1100.575782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.575782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.575782 (E_RNA)
where:
Base-Base interactions energy: -698.242
where: short stacking energy: -311.624
Base-Backbone interact. energy: -0.474
local terms energy: -401.859372
where:
bonds (distance) C4'-P energy: -86.341
bonds (distance) P-C4' energy: -93.626
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -56.694
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: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -804.648538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.648538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.648538 (E_RNA)
where:
Base-Base interactions energy: -481.241
where: short stacking energy: -220.721
Base-Backbone interact. energy: 3.342
local terms energy: -326.749527
where:
bonds (distance) C4'-P energy: -72.548
bonds (distance) P-C4' energy: -98.517
flat angles C4'-P-C4' energy: -85.568
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -22.015
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: 62
Temperature: 0.900000
Total energy: -1917.962669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.962669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.962669 (E_RNA)
where:
Base-Base interactions energy: -1340.118
where: short stacking energy: -585.778
Base-Backbone interact. energy: -0.531
local terms energy: -577.313293
where:
bonds (distance) C4'-P energy: -95.010
bonds (distance) P-C4' energy: -117.460
flat angles C4'-P-C4' energy: -122.093
flat angles P-C4'-P energy: -77.849
tors. eta vs tors. theta energy: -164.902
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1864.669885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.669885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.669885 (E_RNA)
where:
Base-Base interactions energy: -1304.745
where: short stacking energy: -547.029
Base-Backbone interact. energy: -2.692
local terms energy: -557.233026
where:
bonds (distance) C4'-P energy: -102.101
bonds (distance) P-C4' energy: -113.337
flat angles C4'-P-C4' energy: -119.056
flat angles P-C4'-P energy: -74.124
tors. eta vs tors. theta energy: -148.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1785.321898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.321898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.321898 (E_RNA)
where:
Base-Base interactions energy: -1219.282
where: short stacking energy: -533.750
Base-Backbone interact. energy: -0.655
local terms energy: -565.384655
where:
bonds (distance) C4'-P energy: -99.143
bonds (distance) P-C4' energy: -114.893
flat angles C4'-P-C4' energy: -122.138
flat angles P-C4'-P energy: -76.448
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1694.501502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.501502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.501502 (E_RNA)
where:
Base-Base interactions energy: -1195.249
where: short stacking energy: -488.799
Base-Backbone interact. energy: -1.916
local terms energy: -497.336267
where:
bonds (distance) C4'-P energy: -92.963
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -115.851
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -125.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1667.787181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.787181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.787181 (E_RNA)
where:
Base-Base interactions energy: -1172.744
where: short stacking energy: -476.163
Base-Backbone interact. energy: -0.679
local terms energy: -494.363835
where:
bonds (distance) C4'-P energy: -97.877
bonds (distance) P-C4' energy: -94.368
flat angles C4'-P-C4' energy: -105.954
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -122.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1612.972033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.972033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.972033 (E_RNA)
where:
Base-Base interactions energy: -1114.639
where: short stacking energy: -455.275
Base-Backbone interact. energy: 3.375
local terms energy: -501.708670
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -90.261
flat angles C4'-P-C4' energy: -120.077
flat angles P-C4'-P energy: -67.098
tors. eta vs tors. theta energy: -130.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1485.340487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.340487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.340487 (E_RNA)
where:
Base-Base interactions energy: -1031.925
where: short stacking energy: -435.260
Base-Backbone interact. energy: -1.042
local terms energy: -452.373841
where:
bonds (distance) C4'-P energy: -73.469
bonds (distance) P-C4' energy: -90.301
flat angles C4'-P-C4' energy: -103.069
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -106.050
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: 62
Temperature: 1.250000
Total energy: -1433.131346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.131346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.131346 (E_RNA)
where:
Base-Base interactions energy: -977.858
where: short stacking energy: -399.221
Base-Backbone interact. energy: -3.748
local terms energy: -451.525761
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -91.757
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -78.373
tors. eta vs tors. theta energy: -95.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1093.430568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.430568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.430568 (E_RNA)
where:
Base-Base interactions energy: -740.865
where: short stacking energy: -315.670
Base-Backbone interact. energy: 2.581
local terms energy: -355.145889
where:
bonds (distance) C4'-P energy: -97.063
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -91.841
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -51.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -842.967629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.967629 (E_RNA)
where:
Base-Base interactions energy: -522.886
where: short stacking energy: -243.281
Base-Backbone interact. energy: 7.197
local terms energy: -327.278431
where:
bonds (distance) C4'-P energy: -80.043
bonds (distance) P-C4' energy: -106.181
flat angles C4'-P-C4' energy: -81.846
flat angles P-C4'-P energy: -43.508
tors. eta vs tors. theta energy: -15.701
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: 63
Temperature: 0.900000
Total energy: -1907.514723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.514723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.514723 (E_RNA)
where:
Base-Base interactions energy: -1303.516
where: short stacking energy: -570.364
Base-Backbone interact. energy: -0.629
local terms energy: -603.369671
where:
bonds (distance) C4'-P energy: -102.109
bonds (distance) P-C4' energy: -118.568
flat angles C4'-P-C4' energy: -121.979
flat angles P-C4'-P energy: -94.998
tors. eta vs tors. theta energy: -165.716
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: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1824.584827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.584827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.584827 (E_RNA)
where:
Base-Base interactions energy: -1261.666
where: short stacking energy: -546.641
Base-Backbone interact. energy: -0.356
local terms energy: -562.562690
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -113.554
flat angles C4'-P-C4' energy: -128.987
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -148.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1807.119900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.119900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.119900 (E_RNA)
where:
Base-Base interactions energy: -1275.694
where: short stacking energy: -543.063
Base-Backbone interact. energy: -2.187
local terms energy: -529.238561
where:
bonds (distance) C4'-P energy: -100.656
bonds (distance) P-C4' energy: -93.574
flat angles C4'-P-C4' energy: -116.856
flat angles P-C4'-P energy: -70.397
tors. eta vs tors. theta energy: -147.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1709.726848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.726848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.726848 (E_RNA)
where:
Base-Base interactions energy: -1212.365
where: short stacking energy: -501.221
Base-Backbone interact. energy: -2.058
local terms energy: -495.304402
where:
bonds (distance) C4'-P energy: -91.777
bonds (distance) P-C4' energy: -109.379
flat angles C4'-P-C4' energy: -103.509
flat angles P-C4'-P energy: -69.097
tors. eta vs tors. theta energy: -121.542
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: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1664.809494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.809494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.809494 (E_RNA)
where:
Base-Base interactions energy: -1179.867
where: short stacking energy: -486.954
Base-Backbone interact. energy: -3.119
local terms energy: -481.824190
where:
bonds (distance) C4'-P energy: -91.334
bonds (distance) P-C4' energy: -87.784
flat angles C4'-P-C4' energy: -108.994
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -128.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1627.040090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.040090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.040090 (E_RNA)
where:
Base-Base interactions energy: -1162.569
where: short stacking energy: -476.848
Base-Backbone interact. energy: 0.593
local terms energy: -465.064377
where:
bonds (distance) C4'-P energy: -81.395
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -112.157
flat angles P-C4'-P energy: -71.136
tors. eta vs tors. theta energy: -120.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1471.812951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.812951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.812951 (E_RNA)
where:
Base-Base interactions energy: -1012.413
where: short stacking energy: -416.114
Base-Backbone interact. energy: 2.082
local terms energy: -461.482307
where:
bonds (distance) C4'-P energy: -91.873
bonds (distance) P-C4' energy: -98.314
flat angles C4'-P-C4' energy: -106.166
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -104.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1435.871233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.871233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.871233 (E_RNA)
where:
Base-Base interactions energy: -997.389
where: short stacking energy: -408.191
Base-Backbone interact. energy: -0.442
local terms energy: -438.040523
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -84.578
flat angles C4'-P-C4' energy: -93.139
flat angles P-C4'-P energy: -61.770
tors. eta vs tors. theta energy: -97.117
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: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1122.338469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.338469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.338469 (E_RNA)
where:
Base-Base interactions energy: -726.801
where: short stacking energy: -328.429
Base-Backbone interact. energy: -1.458
local terms energy: -394.079174
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -95.034
flat angles C4'-P-C4' energy: -106.909
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -65.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -811.674222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.674222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.674222 (E_RNA)
where:
Base-Base interactions energy: -495.464
where: short stacking energy: -227.156
Base-Backbone interact. energy: 1.292
local terms energy: -317.502297
where:
bonds (distance) C4'-P energy: -72.446
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -99.834
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1911.423367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.423367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.423367 (E_RNA)
where:
Base-Base interactions energy: -1319.438
where: short stacking energy: -551.986
Base-Backbone interact. energy: -3.675
local terms energy: -588.310294
where:
bonds (distance) C4'-P energy: -101.598
bonds (distance) P-C4' energy: -110.300
flat angles C4'-P-C4' energy: -121.986
flat angles P-C4'-P energy: -93.899
tors. eta vs tors. theta energy: -160.527
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1859.454615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.454615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.454615 (E_RNA)
where:
Base-Base interactions energy: -1274.141
where: short stacking energy: -542.204
Base-Backbone interact. energy: -2.206
local terms energy: -583.107709
where:
bonds (distance) C4'-P energy: -110.671
bonds (distance) P-C4' energy: -102.284
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -83.912
tors. eta vs tors. theta energy: -156.142
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: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1774.120875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.120875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.120875 (E_RNA)
where:
Base-Base interactions energy: -1224.499
where: short stacking energy: -505.496
Base-Backbone interact. energy: 0.772
local terms energy: -550.394200
where:
bonds (distance) C4'-P energy: -97.703
bonds (distance) P-C4' energy: -122.508
flat angles C4'-P-C4' energy: -111.613
flat angles P-C4'-P energy: -74.863
tors. eta vs tors. theta energy: -143.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1755.523142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.523142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.523142 (E_RNA)
where:
Base-Base interactions energy: -1228.373
where: short stacking energy: -501.379
Base-Backbone interact. energy: 1.292
local terms energy: -528.442695
where:
bonds (distance) C4'-P energy: -110.633
bonds (distance) P-C4' energy: -106.761
flat angles C4'-P-C4' energy: -115.672
flat angles P-C4'-P energy: -63.633
tors. eta vs tors. theta energy: -131.744
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1685.937722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.937722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.937722 (E_RNA)
where:
Base-Base interactions energy: -1181.909
where: short stacking energy: -474.897
Base-Backbone interact. energy: -1.500
local terms energy: -502.528832
where:
bonds (distance) C4'-P energy: -93.609
bonds (distance) P-C4' energy: -95.110
flat angles C4'-P-C4' energy: -120.662
flat angles P-C4'-P energy: -74.302
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: 64
Temperature: 1.150000
Total energy: -1652.562726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.562726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.562726 (E_RNA)
where:
Base-Base interactions energy: -1164.322
where: short stacking energy: -470.200
Base-Backbone interact. energy: -4.033
local terms energy: -484.207309
where:
bonds (distance) C4'-P energy: -98.196
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -98.806
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: -128.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1503.821322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.821322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.821322 (E_RNA)
where:
Base-Base interactions energy: -1051.810
where: short stacking energy: -434.859
Base-Backbone interact. energy: -3.447
local terms energy: -448.564234
where:
bonds (distance) C4'-P energy: -81.433
bonds (distance) P-C4' energy: -87.539
flat angles C4'-P-C4' energy: -102.992
flat angles P-C4'-P energy: -65.545
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1419.595120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.595120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.595120 (E_RNA)
where:
Base-Base interactions energy: -990.305
where: short stacking energy: -408.783
Base-Backbone interact. energy: 0.870
local terms energy: -430.160668
where:
bonds (distance) C4'-P energy: -98.214
bonds (distance) P-C4' energy: -87.699
flat angles C4'-P-C4' energy: -95.883
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: -94.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1141.299521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.299521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.299521 (E_RNA)
where:
Base-Base interactions energy: -743.188
where: short stacking energy: -331.368
Base-Backbone interact. energy: 1.928
local terms energy: -400.039125
where:
bonds (distance) C4'-P energy: -83.725
bonds (distance) P-C4' energy: -103.482
flat angles C4'-P-C4' energy: -81.302
flat angles P-C4'-P energy: -54.941
tors. eta vs tors. theta energy: -76.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -829.411256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.411256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.411256 (E_RNA)
where:
Base-Base interactions energy: -505.505
where: short stacking energy: -233.146
Base-Backbone interact. energy: -2.201
local terms energy: -321.705724
where:
bonds (distance) C4'-P energy: -81.233
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1909.949604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.949604 (E_RNA)
where:
Base-Base interactions energy: -1332.106
where: short stacking energy: -551.931
Base-Backbone interact. energy: -2.729
local terms energy: -575.113935
where:
bonds (distance) C4'-P energy: -100.278
bonds (distance) P-C4' energy: -103.786
flat angles C4'-P-C4' energy: -122.152
flat angles P-C4'-P energy: -76.968
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: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1872.367903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.367903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.367903 (E_RNA)
where:
Base-Base interactions energy: -1321.969
where: short stacking energy: -564.150
Base-Backbone interact. energy: -2.349
local terms energy: -548.049632
where:
bonds (distance) C4'-P energy: -95.312
bonds (distance) P-C4' energy: -96.031
flat angles C4'-P-C4' energy: -123.957
flat angles P-C4'-P energy: -71.532
tors. eta vs tors. theta energy: -161.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1761.413070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.413070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.413070 (E_RNA)
where:
Base-Base interactions energy: -1215.139
where: short stacking energy: -489.540
Base-Backbone interact. energy: -2.407
local terms energy: -543.867061
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -118.154
flat angles C4'-P-C4' energy: -118.594
flat angles P-C4'-P energy: -77.589
tors. eta vs tors. theta energy: -140.460
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: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1717.732956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.732956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.732956 (E_RNA)
where:
Base-Base interactions energy: -1206.616
where: short stacking energy: -494.540
Base-Backbone interact. energy: -1.852
local terms energy: -509.265195
where:
bonds (distance) C4'-P energy: -97.009
bonds (distance) P-C4' energy: -105.227
flat angles C4'-P-C4' energy: -115.313
flat angles P-C4'-P energy: -64.397
tors. eta vs tors. theta energy: -127.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1634.721972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.721972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.721972 (E_RNA)
where:
Base-Base interactions energy: -1148.982
where: short stacking energy: -475.336
Base-Backbone interact. energy: 6.714
local terms energy: -492.453109
where:
bonds (distance) C4'-P energy: -86.816
bonds (distance) P-C4' energy: -94.883
flat angles C4'-P-C4' energy: -106.544
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -125.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1612.962130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.962130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.962130 (E_RNA)
where:
Base-Base interactions energy: -1127.456
where: short stacking energy: -477.672
Base-Backbone interact. energy: -1.906
local terms energy: -483.599630
where:
bonds (distance) C4'-P energy: -91.400
bonds (distance) P-C4' energy: -97.473
flat angles C4'-P-C4' energy: -108.910
flat angles P-C4'-P energy: -57.947
tors. eta vs tors. theta energy: -127.871
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: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1479.857620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.857620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.857620 (E_RNA)
where:
Base-Base interactions energy: -1018.585
where: short stacking energy: -425.132
Base-Backbone interact. energy: 6.709
local terms energy: -467.981933
where:
bonds (distance) C4'-P energy: -94.826
bonds (distance) P-C4' energy: -91.539
flat angles C4'-P-C4' energy: -109.935
flat angles P-C4'-P energy: -64.018
tors. eta vs tors. theta energy: -107.664
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: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1416.511854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.511854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.511854 (E_RNA)
where:
Base-Base interactions energy: -1002.963
where: short stacking energy: -397.669
Base-Backbone interact. energy: -3.078
local terms energy: -410.471032
where:
bonds (distance) C4'-P energy: -66.974
bonds (distance) P-C4' energy: -86.551
flat angles C4'-P-C4' energy: -108.718
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -82.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1156.565353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.565353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.565353 (E_RNA)
where:
Base-Base interactions energy: -778.472
where: short stacking energy: -310.633
Base-Backbone interact. energy: -0.024
local terms energy: -378.068976
where:
bonds (distance) C4'-P energy: -89.296
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -99.478
flat angles P-C4'-P energy: -55.657
tors. eta vs tors. theta energy: -51.480
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: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -821.084867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.084867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.084867 (E_RNA)
where:
Base-Base interactions energy: -535.413
where: short stacking energy: -248.990
Base-Backbone interact. energy: 5.121
local terms energy: -290.792999
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -63.068
flat angles C4'-P-C4' energy: -76.239
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -36.861
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: 66
Temperature: 0.900000
Total energy: -1914.708667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.708667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.708667 (E_RNA)
where:
Base-Base interactions energy: -1326.086
where: short stacking energy: -572.609
Base-Backbone interact. energy: -1.006
local terms energy: -587.617398
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -105.694
flat angles C4'-P-C4' energy: -132.427
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -165.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1849.352117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.352117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.352117 (E_RNA)
where:
Base-Base interactions energy: -1295.655
where: short stacking energy: -545.902
Base-Backbone interact. energy: -1.689
local terms energy: -552.008251
where:
bonds (distance) C4'-P energy: -107.505
bonds (distance) P-C4' energy: -97.299
flat angles C4'-P-C4' energy: -114.943
flat angles P-C4'-P energy: -92.249
tors. eta vs tors. theta energy: -140.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1783.498284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.498284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.498284 (E_RNA)
where:
Base-Base interactions energy: -1237.925
where: short stacking energy: -493.004
Base-Backbone interact. energy: -1.713
local terms energy: -543.860802
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -110.902
flat angles C4'-P-C4' energy: -121.013
flat angles P-C4'-P energy: -68.647
tors. eta vs tors. theta energy: -135.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1718.347068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.347068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.347068 (E_RNA)
where:
Base-Base interactions energy: -1235.435
where: short stacking energy: -489.769
Base-Backbone interact. energy: -2.813
local terms energy: -480.099464
where:
bonds (distance) C4'-P energy: -102.398
bonds (distance) P-C4' energy: -80.113
flat angles C4'-P-C4' energy: -108.968
flat angles P-C4'-P energy: -58.904
tors. eta vs tors. theta energy: -129.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1655.950839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.950839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.950839 (E_RNA)
where:
Base-Base interactions energy: -1161.847
where: short stacking energy: -476.424
Base-Backbone interact. energy: -3.097
local terms energy: -491.006241
where:
bonds (distance) C4'-P energy: -99.987
bonds (distance) P-C4' energy: -103.341
flat angles C4'-P-C4' energy: -101.178
flat angles P-C4'-P energy: -64.854
tors. eta vs tors. theta energy: -121.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1647.766712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.766712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.766712 (E_RNA)
where:
Base-Base interactions energy: -1123.087
where: short stacking energy: -471.254
Base-Backbone interact. energy: 1.925
local terms energy: -526.605021
where:
bonds (distance) C4'-P energy: -100.031
bonds (distance) P-C4' energy: -102.164
flat angles C4'-P-C4' energy: -112.194
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -132.183
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: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1457.765474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.765474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.765474 (E_RNA)
where:
Base-Base interactions energy: -986.186
where: short stacking energy: -397.533
Base-Backbone interact. energy: -0.999
local terms energy: -470.580125
where:
bonds (distance) C4'-P energy: -87.830
bonds (distance) P-C4' energy: -99.802
flat angles C4'-P-C4' energy: -118.186
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -98.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1414.653408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.653408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.653408 (E_RNA)
where:
Base-Base interactions energy: -987.840
where: short stacking energy: -409.959
Base-Backbone interact. energy: 1.048
local terms energy: -427.861383
where:
bonds (distance) C4'-P energy: -90.313
bonds (distance) P-C4' energy: -82.470
flat angles C4'-P-C4' energy: -98.423
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -101.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1137.349923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.349923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.349923 (E_RNA)
where:
Base-Base interactions energy: -764.348
where: short stacking energy: -333.962
Base-Backbone interact. energy: -3.709
local terms energy: -369.292864
where:
bonds (distance) C4'-P energy: -70.530
bonds (distance) P-C4' energy: -70.915
flat angles C4'-P-C4' energy: -95.643
flat angles P-C4'-P energy: -64.864
tors. eta vs tors. theta energy: -67.341
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: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -864.558344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.558344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.558344 (E_RNA)
where:
Base-Base interactions energy: -521.887
where: short stacking energy: -259.560
Base-Backbone interact. energy: 1.422
local terms energy: -344.093255
where:
bonds (distance) C4'-P energy: -89.206
bonds (distance) P-C4' energy: -87.934
flat angles C4'-P-C4' energy: -81.088
flat angles P-C4'-P energy: -56.843
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1904.242957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.242957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.242957 (E_RNA)
where:
Base-Base interactions energy: -1335.713
where: short stacking energy: -560.347
Base-Backbone interact. energy: -3.963
local terms energy: -564.567028
where:
bonds (distance) C4'-P energy: -107.273
bonds (distance) P-C4' energy: -88.579
flat angles C4'-P-C4' energy: -122.783
flat angles P-C4'-P energy: -88.817
tors. eta vs tors. theta energy: -157.115
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: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1830.493881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.493881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.493881 (E_RNA)
where:
Base-Base interactions energy: -1283.363
where: short stacking energy: -533.756
Base-Backbone interact. energy: -2.755
local terms energy: -544.375989
where:
bonds (distance) C4'-P energy: -106.132
bonds (distance) P-C4' energy: -91.013
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -77.475
tors. eta vs tors. theta energy: -140.543
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: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1798.401791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.401791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.401791 (E_RNA)
where:
Base-Base interactions energy: -1270.574
where: short stacking energy: -532.403
Base-Backbone interact. energy: -1.542
local terms energy: -526.285416
where:
bonds (distance) C4'-P energy: -97.520
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -108.395
flat angles P-C4'-P energy: -85.355
tors. eta vs tors. theta energy: -138.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1709.825877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.825877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.825877 (E_RNA)
where:
Base-Base interactions energy: -1197.321
where: short stacking energy: -502.114
Base-Backbone interact. energy: -5.106
local terms energy: -507.399121
where:
bonds (distance) C4'-P energy: -94.825
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -104.906
flat angles P-C4'-P energy: -81.695
tors. eta vs tors. theta energy: -127.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1672.332839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.332839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.332839 (E_RNA)
where:
Base-Base interactions energy: -1166.682
where: short stacking energy: -469.510
Base-Backbone interact. energy: -0.597
local terms energy: -505.054610
where:
bonds (distance) C4'-P energy: -87.159
bonds (distance) P-C4' energy: -102.535
flat angles C4'-P-C4' energy: -102.958
flat angles P-C4'-P energy: -77.701
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: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1559.656089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.656089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.656089 (E_RNA)
where:
Base-Base interactions energy: -1075.999
where: short stacking energy: -418.137
Base-Backbone interact. energy: -1.860
local terms energy: -481.797026
where:
bonds (distance) C4'-P energy: -103.114
bonds (distance) P-C4' energy: -91.919
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -75.003
tors. eta vs tors. theta energy: -111.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1586.621965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.621965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.621965 (E_RNA)
where:
Base-Base interactions energy: -1113.553
where: short stacking energy: -463.462
Base-Backbone interact. energy: -0.038
local terms energy: -473.030204
where:
bonds (distance) C4'-P energy: -84.707
bonds (distance) P-C4' energy: -81.658
flat angles C4'-P-C4' energy: -109.422
flat angles P-C4'-P energy: -68.798
tors. eta vs tors. theta energy: -128.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1391.778750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.778750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.778750 (E_RNA)
where:
Base-Base interactions energy: -982.403
where: short stacking energy: -407.197
Base-Backbone interact. energy: -2.106
local terms energy: -407.269788
where:
bonds (distance) C4'-P energy: -77.780
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -95.245
flat angles P-C4'-P energy: -63.013
tors. eta vs tors. theta energy: -88.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1123.193620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.193620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.193620 (E_RNA)
where:
Base-Base interactions energy: -767.800
where: short stacking energy: -352.068
Base-Backbone interact. energy: 3.438
local terms energy: -358.831290
where:
bonds (distance) C4'-P energy: -82.201
bonds (distance) P-C4' energy: -81.025
flat angles C4'-P-C4' energy: -88.040
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -64.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -839.533738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.533738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.533738 (E_RNA)
where:
Base-Base interactions energy: -510.763
where: short stacking energy: -228.010
Base-Backbone interact. energy: 0.669
local terms energy: -329.439602
where:
bonds (distance) C4'-P energy: -66.783
bonds (distance) P-C4' energy: -92.587
flat angles C4'-P-C4' energy: -77.105
flat angles P-C4'-P energy: -60.612
tors. eta vs tors. theta energy: -32.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1919.731366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.731366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.731366 (E_RNA)
where:
Base-Base interactions energy: -1347.656
where: short stacking energy: -570.454
Base-Backbone interact. energy: -3.198
local terms energy: -568.877563
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -105.277
flat angles C4'-P-C4' energy: -126.003
flat angles P-C4'-P energy: -89.696
tors. eta vs tors. theta energy: -153.614
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: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1827.382570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.382570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.382570 (E_RNA)
where:
Base-Base interactions energy: -1253.405
where: short stacking energy: -528.011
Base-Backbone interact. energy: -4.094
local terms energy: -569.883300
where:
bonds (distance) C4'-P energy: -98.612
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -123.283
flat angles P-C4'-P energy: -88.196
tors. eta vs tors. theta energy: -147.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1786.980850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.980850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.980850 (E_RNA)
where:
Base-Base interactions energy: -1254.099
where: short stacking energy: -514.198
Base-Backbone interact. energy: -0.172
local terms energy: -532.709971
where:
bonds (distance) C4'-P energy: -106.805
bonds (distance) P-C4' energy: -100.011
flat angles C4'-P-C4' energy: -111.607
flat angles P-C4'-P energy: -78.496
tors. eta vs tors. theta energy: -135.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1732.356487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.356487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.356487 (E_RNA)
where:
Base-Base interactions energy: -1208.453
where: short stacking energy: -509.332
Base-Backbone interact. energy: -1.901
local terms energy: -522.002035
where:
bonds (distance) C4'-P energy: -87.810
bonds (distance) P-C4' energy: -115.973
flat angles C4'-P-C4' energy: -102.576
flat angles P-C4'-P energy: -74.221
tors. eta vs tors. theta energy: -141.422
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: 68
Temperature: 1.100000
Total energy: -1663.534810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.534810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.534810 (E_RNA)
where:
Base-Base interactions energy: -1169.428
where: short stacking energy: -481.724
Base-Backbone interact. energy: -2.649
local terms energy: -491.457315
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -99.053
flat angles C4'-P-C4' energy: -109.727
flat angles P-C4'-P energy: -71.093
tors. eta vs tors. theta energy: -119.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1526.281089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.281089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.281089 (E_RNA)
where:
Base-Base interactions energy: -1059.405
where: short stacking energy: -455.779
Base-Backbone interact. energy: -2.396
local terms energy: -464.479711
where:
bonds (distance) C4'-P energy: -76.437
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -113.722
flat angles P-C4'-P energy: -71.005
tors. eta vs tors. theta energy: -113.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1566.236086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.236086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.236086 (E_RNA)
where:
Base-Base interactions energy: -1103.622
where: short stacking energy: -455.365
Base-Backbone interact. energy: 4.604
local terms energy: -467.217872
where:
bonds (distance) C4'-P energy: -75.968
bonds (distance) P-C4' energy: -91.798
flat angles C4'-P-C4' energy: -107.762
flat angles P-C4'-P energy: -68.788
tors. eta vs tors. theta energy: -122.902
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: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1438.823362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.823362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.823362 (E_RNA)
where:
Base-Base interactions energy: -1003.080
where: short stacking energy: -434.872
Base-Backbone interact. energy: -4.412
local terms energy: -431.330962
where:
bonds (distance) C4'-P energy: -73.609
bonds (distance) P-C4' energy: -85.460
flat angles C4'-P-C4' energy: -102.901
flat angles P-C4'-P energy: -52.561
tors. eta vs tors. theta energy: -116.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1099.148270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.148270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.148270 (E_RNA)
where:
Base-Base interactions energy: -726.482
where: short stacking energy: -301.454
Base-Backbone interact. energy: -3.046
local terms energy: -369.619959
where:
bonds (distance) C4'-P energy: -74.432
bonds (distance) P-C4' energy: -96.976
flat angles C4'-P-C4' energy: -92.024
flat angles P-C4'-P energy: -48.342
tors. eta vs tors. theta energy: -57.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -863.627984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.627984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.627984 (E_RNA)
where:
Base-Base interactions energy: -504.921
where: short stacking energy: -228.855
Base-Backbone interact. energy: -0.371
local terms energy: -358.336084
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -91.370
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -27.914
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: 69
Temperature: 0.900000
Total energy: -1916.492575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.492575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.492575 (E_RNA)
where:
Base-Base interactions energy: -1331.985
where: short stacking energy: -569.296
Base-Backbone interact. energy: -1.899
local terms energy: -582.608963
where:
bonds (distance) C4'-P energy: -105.442
bonds (distance) P-C4' energy: -103.872
flat angles C4'-P-C4' energy: -125.956
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -162.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1855.432324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.432324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.432324 (E_RNA)
where:
Base-Base interactions energy: -1295.607
where: short stacking energy: -540.961
Base-Backbone interact. energy: 1.124
local terms energy: -560.949524
where:
bonds (distance) C4'-P energy: -102.819
bonds (distance) P-C4' energy: -109.531
flat angles C4'-P-C4' energy: -128.210
flat angles P-C4'-P energy: -79.259
tors. eta vs tors. theta energy: -141.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1793.154951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.154951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.154951 (E_RNA)
where:
Base-Base interactions energy: -1285.053
where: short stacking energy: -534.862
Base-Backbone interact. energy: -0.644
local terms energy: -507.457312
where:
bonds (distance) C4'-P energy: -85.021
bonds (distance) P-C4' energy: -98.998
flat angles C4'-P-C4' energy: -115.986
flat angles P-C4'-P energy: -71.195
tors. eta vs tors. theta energy: -136.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1730.819913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.819913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.819913 (E_RNA)
where:
Base-Base interactions energy: -1204.472
where: short stacking energy: -503.709
Base-Backbone interact. energy: -4.542
local terms energy: -521.805755
where:
bonds (distance) C4'-P energy: -103.903
bonds (distance) P-C4' energy: -97.343
flat angles C4'-P-C4' energy: -126.650
flat angles P-C4'-P energy: -59.050
tors. eta vs tors. theta energy: -134.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1648.865413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.865413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.865413 (E_RNA)
where:
Base-Base interactions energy: -1156.610
where: short stacking energy: -471.990
Base-Backbone interact. energy: -2.993
local terms energy: -489.261985
where:
bonds (distance) C4'-P energy: -89.896
bonds (distance) P-C4' energy: -107.736
flat angles C4'-P-C4' energy: -95.945
flat angles P-C4'-P energy: -71.328
tors. eta vs tors. theta energy: -124.357
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: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1495.162285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.162285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.162285 (E_RNA)
where:
Base-Base interactions energy: -1044.303
where: short stacking energy: -416.904
Base-Backbone interact. energy: -1.472
local terms energy: -449.387445
where:
bonds (distance) C4'-P energy: -96.508
bonds (distance) P-C4' energy: -89.100
flat angles C4'-P-C4' energy: -100.797
flat angles P-C4'-P energy: -70.111
tors. eta vs tors. theta energy: -92.871
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1545.887011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.887011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.887011 (E_RNA)
where:
Base-Base interactions energy: -1090.426
where: short stacking energy: -460.767
Base-Backbone interact. energy: 1.045
local terms energy: -456.506150
where:
bonds (distance) C4'-P energy: -84.212
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -113.940
flat angles P-C4'-P energy: -74.507
tors. eta vs tors. theta energy: -110.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1405.224933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.224933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.224933 (E_RNA)
where:
Base-Base interactions energy: -970.063
where: short stacking energy: -395.818
Base-Backbone interact. energy: -1.336
local terms energy: -433.825518
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -76.055
flat angles C4'-P-C4' energy: -96.463
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: -90.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1151.476363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.476363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.476363 (E_RNA)
where:
Base-Base interactions energy: -780.849
where: short stacking energy: -348.434
Base-Backbone interact. energy: 1.713
local terms energy: -372.339704
where:
bonds (distance) C4'-P energy: -67.522
bonds (distance) P-C4' energy: -92.468
flat angles C4'-P-C4' energy: -84.142
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -70.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -829.905563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.905563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.905563 (E_RNA)
where:
Base-Base interactions energy: -521.787
where: short stacking energy: -241.803
Base-Backbone interact. energy: 6.448
local terms energy: -314.566662
where:
bonds (distance) C4'-P energy: -87.006
bonds (distance) P-C4' energy: -82.001
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -56.145
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1910.276692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.276692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.276692 (E_RNA)
where:
Base-Base interactions energy: -1329.065
where: short stacking energy: -574.544
Base-Backbone interact. energy: -1.929
local terms energy: -579.282012
where:
bonds (distance) C4'-P energy: -102.596
bonds (distance) P-C4' energy: -110.369
flat angles C4'-P-C4' energy: -133.708
flat angles P-C4'-P energy: -76.633
tors. eta vs tors. theta energy: -155.976
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: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1837.312978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.312978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.312978 (E_RNA)
where:
Base-Base interactions energy: -1250.703
where: short stacking energy: -529.072
Base-Backbone interact. energy: -2.306
local terms energy: -584.304644
where:
bonds (distance) C4'-P energy: -103.454
bonds (distance) P-C4' energy: -112.691
flat angles C4'-P-C4' energy: -123.785
flat angles P-C4'-P energy: -91.330
tors. eta vs tors. theta energy: -153.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1799.383291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.383291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.383291 (E_RNA)
where:
Base-Base interactions energy: -1261.207
where: short stacking energy: -525.302
Base-Backbone interact. energy: 2.781
local terms energy: -540.956567
where:
bonds (distance) C4'-P energy: -112.251
bonds (distance) P-C4' energy: -103.801
flat angles C4'-P-C4' energy: -112.142
flat angles P-C4'-P energy: -63.834
tors. eta vs tors. theta energy: -148.928
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: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1732.096220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.096220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.096220 (E_RNA)
where:
Base-Base interactions energy: -1204.193
where: short stacking energy: -499.702
Base-Backbone interact. energy: 2.869
local terms energy: -530.771779
where:
bonds (distance) C4'-P energy: -105.897
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -122.899
flat angles P-C4'-P energy: -70.658
tors. eta vs tors. theta energy: -124.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1698.786398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.786398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.786398 (E_RNA)
where:
Base-Base interactions energy: -1205.785
where: short stacking energy: -486.669
Base-Backbone interact. energy: -1.557
local terms energy: -491.444434
where:
bonds (distance) C4'-P energy: -83.744
bonds (distance) P-C4' energy: -106.533
flat angles C4'-P-C4' energy: -111.251
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -122.619
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1476.053112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.053112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.053112 (E_RNA)
where:
Base-Base interactions energy: -1029.646
where: short stacking energy: -432.494
Base-Backbone interact. energy: 1.123
local terms energy: -447.530226
where:
bonds (distance) C4'-P energy: -83.663
bonds (distance) P-C4' energy: -102.598
flat angles C4'-P-C4' energy: -106.430
flat angles P-C4'-P energy: -63.235
tors. eta vs tors. theta energy: -91.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1541.263513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.263513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.263513 (E_RNA)
where:
Base-Base interactions energy: -1064.750
where: short stacking energy: -443.197
Base-Backbone interact. energy: 0.388
local terms energy: -476.901609
where:
bonds (distance) C4'-P energy: -89.833
bonds (distance) P-C4' energy: -102.120
flat angles C4'-P-C4' energy: -94.975
flat angles P-C4'-P energy: -68.125
tors. eta vs tors. theta energy: -121.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1373.928049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.928049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.928049 (E_RNA)
where:
Base-Base interactions energy: -983.199
where: short stacking energy: -383.209
Base-Backbone interact. energy: 3.101
local terms energy: -393.830127
where:
bonds (distance) C4'-P energy: -84.790
bonds (distance) P-C4' energy: -75.087
flat angles C4'-P-C4' energy: -92.707
flat angles P-C4'-P energy: -57.495
tors. eta vs tors. theta energy: -83.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1196.212622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.212622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.212622 (E_RNA)
where:
Base-Base interactions energy: -798.780
where: short stacking energy: -340.746
Base-Backbone interact. energy: 1.299
local terms energy: -398.731636
where:
bonds (distance) C4'-P energy: -91.603
bonds (distance) P-C4' energy: -88.301
flat angles C4'-P-C4' energy: -86.998
flat angles P-C4'-P energy: -58.614
tors. eta vs tors. theta energy: -73.215
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -842.592126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.592126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.592126 (E_RNA)
where:
Base-Base interactions energy: -525.651
where: short stacking energy: -254.676
Base-Backbone interact. energy: -0.341
local terms energy: -316.599409
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -85.733
flat angles C4'-P-C4' energy: -71.751
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -38.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1893.173578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.173578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.173578 (E_RNA)
where:
Base-Base interactions energy: -1314.560
where: short stacking energy: -560.866
Base-Backbone interact. energy: -1.554
local terms energy: -577.060256
where:
bonds (distance) C4'-P energy: -108.279
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -128.711
flat angles P-C4'-P energy: -80.787
tors. eta vs tors. theta energy: -152.939
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1862.904084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.904084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.904084 (E_RNA)
where:
Base-Base interactions energy: -1281.183
where: short stacking energy: -559.666
Base-Backbone interact. energy: -2.815
local terms energy: -578.906184
where:
bonds (distance) C4'-P energy: -117.063
bonds (distance) P-C4' energy: -108.913
flat angles C4'-P-C4' energy: -106.669
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -161.678
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: 71
Temperature: 1.000000
Total energy: -1843.852637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.852637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.852637 (E_RNA)
where:
Base-Base interactions energy: -1295.784
where: short stacking energy: -539.140
Base-Backbone interact. energy: -1.701
local terms energy: -546.368079
where:
bonds (distance) C4'-P energy: -96.022
bonds (distance) P-C4' energy: -111.930
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -68.320
tors. eta vs tors. theta energy: -148.017
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: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1725.262518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.262518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.262518 (E_RNA)
where:
Base-Base interactions energy: -1215.939
where: short stacking energy: -514.226
Base-Backbone interact. energy: 0.582
local terms energy: -509.905037
where:
bonds (distance) C4'-P energy: -84.014
bonds (distance) P-C4' energy: -104.499
flat angles C4'-P-C4' energy: -108.501
flat angles P-C4'-P energy: -74.069
tors. eta vs tors. theta energy: -138.821
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: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1721.761976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.761976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.761976 (E_RNA)
where:
Base-Base interactions energy: -1206.695
where: short stacking energy: -506.378
Base-Backbone interact. energy: 0.217
local terms energy: -515.284056
where:
bonds (distance) C4'-P energy: -95.089
bonds (distance) P-C4' energy: -110.950
flat angles C4'-P-C4' energy: -118.016
flat angles P-C4'-P energy: -60.073
tors. eta vs tors. theta energy: -131.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1627.190881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.190881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.190881 (E_RNA)
where:
Base-Base interactions energy: -1124.281
where: short stacking energy: -459.202
Base-Backbone interact. energy: -1.745
local terms energy: -501.165513
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -99.916
flat angles C4'-P-C4' energy: -109.110
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -121.374
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1447.141786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.141786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.141786 (E_RNA)
where:
Base-Base interactions energy: -1014.375
where: short stacking energy: -428.410
Base-Backbone interact. energy: 2.244
local terms energy: -435.010671
where:
bonds (distance) C4'-P energy: -86.321
bonds (distance) P-C4' energy: -90.855
flat angles C4'-P-C4' energy: -103.721
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -101.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1362.229434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.229434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.229434 (E_RNA)
where:
Base-Base interactions energy: -974.058
where: short stacking energy: -384.893
Base-Backbone interact. energy: -1.825
local terms energy: -386.346358
where:
bonds (distance) C4'-P energy: -78.795
bonds (distance) P-C4' energy: -75.232
flat angles C4'-P-C4' energy: -81.155
flat angles P-C4'-P energy: -60.949
tors. eta vs tors. theta energy: -90.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1162.105511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.105511 (E_RNA)
where:
Base-Base interactions energy: -784.953
where: short stacking energy: -325.353
Base-Backbone interact. energy: 1.934
local terms energy: -379.086223
where:
bonds (distance) C4'-P energy: -68.234
bonds (distance) P-C4' energy: -93.565
flat angles C4'-P-C4' energy: -93.446
flat angles P-C4'-P energy: -62.048
tors. eta vs tors. theta energy: -61.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -829.226702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.226702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.226702 (E_RNA)
where:
Base-Base interactions energy: -505.736
where: short stacking energy: -249.115
Base-Backbone interact. energy: -1.767
local terms energy: -321.723697
where:
bonds (distance) C4'-P energy: -86.661
bonds (distance) P-C4' energy: -84.168
flat angles C4'-P-C4' energy: -78.105
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1932.595861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.595861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.595861 (E_RNA)
where:
Base-Base interactions energy: -1335.754
where: short stacking energy: -560.387
Base-Backbone interact. energy: 2.720
local terms energy: -599.561370
where:
bonds (distance) C4'-P energy: -114.300
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -128.688
flat angles P-C4'-P energy: -93.420
tors. eta vs tors. theta energy: -161.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1819.360072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.360072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.360072 (E_RNA)
where:
Base-Base interactions energy: -1256.057
where: short stacking energy: -558.478
Base-Backbone interact. energy: -0.219
local terms energy: -563.084251
where:
bonds (distance) C4'-P energy: -93.957
bonds (distance) P-C4' energy: -116.006
flat angles C4'-P-C4' energy: -117.370
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -157.063
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1806.490334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.490334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.490334 (E_RNA)
where:
Base-Base interactions energy: -1267.017
where: short stacking energy: -527.553
Base-Backbone interact. energy: 2.735
local terms energy: -542.207991
where:
bonds (distance) C4'-P energy: -94.366
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -124.176
flat angles P-C4'-P energy: -79.034
tors. eta vs tors. theta energy: -136.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1721.612818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.612818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.612818 (E_RNA)
where:
Base-Base interactions energy: -1192.024
where: short stacking energy: -491.395
Base-Backbone interact. energy: -1.683
local terms energy: -527.906035
where:
bonds (distance) C4'-P energy: -99.234
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -119.295
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -121.537
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: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1682.132985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.132985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.132985 (E_RNA)
where:
Base-Base interactions energy: -1179.383
where: short stacking energy: -496.750
Base-Backbone interact. energy: -2.270
local terms energy: -500.479681
where:
bonds (distance) C4'-P energy: -100.368
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -111.348
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -123.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1613.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.604516 (E_RNA)
where:
Base-Base interactions energy: -1103.529
where: short stacking energy: -455.740
Base-Backbone interact. energy: -0.438
local terms energy: -509.637951
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -109.651
flat angles C4'-P-C4' energy: -117.849
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -121.393
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1422.920240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.920240 (E_RNA)
where:
Base-Base interactions energy: -978.719
where: short stacking energy: -410.593
Base-Backbone interact. energy: -1.248
local terms energy: -442.952779
where:
bonds (distance) C4'-P energy: -87.942
bonds (distance) P-C4' energy: -102.012
flat angles C4'-P-C4' energy: -91.049
flat angles P-C4'-P energy: -74.447
tors. eta vs tors. theta energy: -87.503
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: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1357.831591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.831591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.831591 (E_RNA)
where:
Base-Base interactions energy: -952.112
where: short stacking energy: -404.129
Base-Backbone interact. energy: 0.531
local terms energy: -406.250637
where:
bonds (distance) C4'-P energy: -77.070
bonds (distance) P-C4' energy: -88.778
flat angles C4'-P-C4' energy: -101.305
flat angles P-C4'-P energy: -59.470
tors. eta vs tors. theta energy: -79.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1197.995852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.995852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.995852 (E_RNA)
where:
Base-Base interactions energy: -808.291
where: short stacking energy: -356.864
Base-Backbone interact. energy: 2.501
local terms energy: -392.206097
where:
bonds (distance) C4'-P energy: -88.661
bonds (distance) P-C4' energy: -81.141
flat angles C4'-P-C4' energy: -97.770
flat angles P-C4'-P energy: -62.656
tors. eta vs tors. theta energy: -61.979
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: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -783.504967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.504967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.504967 (E_RNA)
where:
Base-Base interactions energy: -458.436
where: short stacking energy: -212.724
Base-Backbone interact. energy: 8.067
local terms energy: -333.136149
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -93.549
flat angles C4'-P-C4' energy: -75.476
flat angles P-C4'-P energy: -49.425
tors. eta vs tors. theta energy: -27.553
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: 73
Temperature: 0.900000
Total energy: -1939.180662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.180662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.180662 (E_RNA)
where:
Base-Base interactions energy: -1340.789
where: short stacking energy: -582.129
Base-Backbone interact. energy: -0.079
local terms energy: -598.312265
where:
bonds (distance) C4'-P energy: -109.882
bonds (distance) P-C4' energy: -117.596
flat angles C4'-P-C4' energy: -126.557
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -166.716
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1820.631971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.631971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.631971 (E_RNA)
where:
Base-Base interactions energy: -1265.552
where: short stacking energy: -544.138
Base-Backbone interact. energy: 2.020
local terms energy: -557.099380
where:
bonds (distance) C4'-P energy: -109.363
bonds (distance) P-C4' energy: -106.531
flat angles C4'-P-C4' energy: -116.061
flat angles P-C4'-P energy: -77.205
tors. eta vs tors. theta energy: -147.939
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: 73
Temperature: 1.000000
Total energy: -1806.849665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.849665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.849665 (E_RNA)
where:
Base-Base interactions energy: -1266.865
where: short stacking energy: -528.583
Base-Backbone interact. energy: 0.292
local terms energy: -540.276531
where:
bonds (distance) C4'-P energy: -105.926
bonds (distance) P-C4' energy: -103.340
flat angles C4'-P-C4' energy: -114.503
flat angles P-C4'-P energy: -77.700
tors. eta vs tors. theta energy: -138.807
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: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1720.291274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.291274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.291274 (E_RNA)
where:
Base-Base interactions energy: -1196.806
where: short stacking energy: -487.362
Base-Backbone interact. energy: 0.261
local terms energy: -523.746019
where:
bonds (distance) C4'-P energy: -102.068
bonds (distance) P-C4' energy: -105.667
flat angles C4'-P-C4' energy: -116.944
flat angles P-C4'-P energy: -82.826
tors. eta vs tors. theta energy: -116.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1681.546838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.546838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.546838 (E_RNA)
where:
Base-Base interactions energy: -1188.763
where: short stacking energy: -489.812
Base-Backbone interact. energy: -1.543
local terms energy: -491.240022
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -94.623
flat angles C4'-P-C4' energy: -109.274
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -126.433
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: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1633.976486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.976486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.976486 (E_RNA)
where:
Base-Base interactions energy: -1130.032
where: short stacking energy: -439.091
Base-Backbone interact. energy: -2.048
local terms energy: -501.896216
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -99.445
flat angles C4'-P-C4' energy: -113.747
flat angles P-C4'-P energy: -75.242
tors. eta vs tors. theta energy: -118.311
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: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1405.716273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.716273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.716273 (E_RNA)
where:
Base-Base interactions energy: -973.546
where: short stacking energy: -397.658
Base-Backbone interact. energy: -1.063
local terms energy: -431.107861
where:
bonds (distance) C4'-P energy: -91.527
bonds (distance) P-C4' energy: -97.641
flat angles C4'-P-C4' energy: -91.337
flat angles P-C4'-P energy: -57.814
tors. eta vs tors. theta energy: -92.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1318.057818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.057818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.057818 (E_RNA)
where:
Base-Base interactions energy: -942.039
where: short stacking energy: -393.153
Base-Backbone interact. energy: -2.123
local terms energy: -373.895680
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -81.460
flat angles C4'-P-C4' energy: -98.926
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -81.706
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: 73
Temperature: 1.300000
Total energy: -1190.119374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.119374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.119374 (E_RNA)
where:
Base-Base interactions energy: -794.119
where: short stacking energy: -329.879
Base-Backbone interact. energy: 0.026
local terms energy: -396.025812
where:
bonds (distance) C4'-P energy: -89.990
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -100.374
flat angles P-C4'-P energy: -65.103
tors. eta vs tors. theta energy: -58.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -812.672409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.672409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.672409 (E_RNA)
where:
Base-Base interactions energy: -482.380
where: short stacking energy: -227.209
Base-Backbone interact. energy: -1.189
local terms energy: -329.103408
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -88.942
flat angles C4'-P-C4' energy: -82.083
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1912.490830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.490830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.490830 (E_RNA)
where:
Base-Base interactions energy: -1317.258
where: short stacking energy: -577.120
Base-Backbone interact. energy: 4.749
local terms energy: -599.981731
where:
bonds (distance) C4'-P energy: -102.335
bonds (distance) P-C4' energy: -116.666
flat angles C4'-P-C4' energy: -120.063
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -168.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1842.883647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.883647 (E_RNA)
where:
Base-Base interactions energy: -1275.856
where: short stacking energy: -546.927
Base-Backbone interact. energy: -1.542
local terms energy: -565.485624
where:
bonds (distance) C4'-P energy: -93.834
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -127.319
flat angles P-C4'-P energy: -82.696
tors. eta vs tors. theta energy: -155.595
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: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1794.239002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.239002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.239002 (E_RNA)
where:
Base-Base interactions energy: -1262.279
where: short stacking energy: -523.705
Base-Backbone interact. energy: 2.248
local terms energy: -534.208032
where:
bonds (distance) C4'-P energy: -104.742
bonds (distance) P-C4' energy: -101.816
flat angles C4'-P-C4' energy: -120.109
flat angles P-C4'-P energy: -67.293
tors. eta vs tors. theta energy: -140.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1770.992595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.992595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.992595 (E_RNA)
where:
Base-Base interactions energy: -1237.669
where: short stacking energy: -536.662
Base-Backbone interact. energy: -3.012
local terms energy: -530.311234
where:
bonds (distance) C4'-P energy: -94.250
bonds (distance) P-C4' energy: -96.258
flat angles C4'-P-C4' energy: -119.210
flat angles P-C4'-P energy: -71.171
tors. eta vs tors. theta energy: -149.422
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: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1694.322645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.322645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.322645 (E_RNA)
where:
Base-Base interactions energy: -1182.418
where: short stacking energy: -474.479
Base-Backbone interact. energy: 0.508
local terms energy: -512.412049
where:
bonds (distance) C4'-P energy: -84.576
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -122.536
flat angles P-C4'-P energy: -79.295
tors. eta vs tors. theta energy: -125.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1582.989089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.989089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.989089 (E_RNA)
where:
Base-Base interactions energy: -1125.640
where: short stacking energy: -450.193
Base-Backbone interact. energy: -0.478
local terms energy: -456.870939
where:
bonds (distance) C4'-P energy: -84.535
bonds (distance) P-C4' energy: -88.761
flat angles C4'-P-C4' energy: -99.822
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -119.999
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: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1410.558787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.558787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.558787 (E_RNA)
where:
Base-Base interactions energy: -967.853
where: short stacking energy: -404.856
Base-Backbone interact. energy: 4.158
local terms energy: -446.863639
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -56.539
tors. eta vs tors. theta energy: -102.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1348.888244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.888244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.888244 (E_RNA)
where:
Base-Base interactions energy: -938.487
where: short stacking energy: -374.393
Base-Backbone interact. energy: 5.505
local terms energy: -415.906650
where:
bonds (distance) C4'-P energy: -90.327
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -97.746
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -86.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1169.451175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.451175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.451175 (E_RNA)
where:
Base-Base interactions energy: -750.973
where: short stacking energy: -327.327
Base-Backbone interact. energy: 0.543
local terms energy: -419.021499
where:
bonds (distance) C4'-P energy: -81.703
bonds (distance) P-C4' energy: -99.816
flat angles C4'-P-C4' energy: -96.614
flat angles P-C4'-P energy: -71.813
tors. eta vs tors. theta energy: -69.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -790.530616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.530616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.530616 (E_RNA)
where:
Base-Base interactions energy: -488.648
where: short stacking energy: -235.151
Base-Backbone interact. energy: -0.860
local terms energy: -301.021938
where:
bonds (distance) C4'-P energy: -75.483
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -80.463
flat angles P-C4'-P energy: -42.599
tors. eta vs tors. theta energy: -34.541
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: 75
Temperature: 0.900000
Total energy: -1935.044302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.044302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.044302 (E_RNA)
where:
Base-Base interactions energy: -1330.989
where: short stacking energy: -574.533
Base-Backbone interact. energy: -1.286
local terms energy: -602.769173
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -112.260
flat angles C4'-P-C4' energy: -137.074
flat angles P-C4'-P energy: -91.043
tors. eta vs tors. theta energy: -159.323
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: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1829.018097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.018097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.018097 (E_RNA)
where:
Base-Base interactions energy: -1253.114
where: short stacking energy: -528.941
Base-Backbone interact. energy: -5.146
local terms energy: -570.758147
where:
bonds (distance) C4'-P energy: -110.341
bonds (distance) P-C4' energy: -109.614
flat angles C4'-P-C4' energy: -122.516
flat angles P-C4'-P energy: -87.353
tors. eta vs tors. theta energy: -140.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1770.057775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.057775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.057775 (E_RNA)
where:
Base-Base interactions energy: -1258.465
where: short stacking energy: -525.793
Base-Backbone interact. energy: 0.719
local terms energy: -512.311964
where:
bonds (distance) C4'-P energy: -90.573
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -102.583
flat angles P-C4'-P energy: -67.727
tors. eta vs tors. theta energy: -139.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1699.106514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.106514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.106514 (E_RNA)
where:
Base-Base interactions energy: -1179.996
where: short stacking energy: -538.223
Base-Backbone interact. energy: -0.842
local terms energy: -518.268989
where:
bonds (distance) C4'-P energy: -90.097
bonds (distance) P-C4' energy: -113.876
flat angles C4'-P-C4' energy: -115.864
flat angles P-C4'-P energy: -70.789
tors. eta vs tors. theta energy: -127.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1660.979481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.979481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.979481 (E_RNA)
where:
Base-Base interactions energy: -1171.487
where: short stacking energy: -456.367
Base-Backbone interact. energy: 4.000
local terms energy: -493.492970
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -90.939
flat angles C4'-P-C4' energy: -115.721
flat angles P-C4'-P energy: -93.174
tors. eta vs tors. theta energy: -120.182
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1469.529268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.529268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.529268 (E_RNA)
where:
Base-Base interactions energy: -989.539
where: short stacking energy: -427.113
Base-Backbone interact. energy: 1.504
local terms energy: -481.494513
where:
bonds (distance) C4'-P energy: -95.491
bonds (distance) P-C4' energy: -80.927
flat angles C4'-P-C4' energy: -118.788
flat angles P-C4'-P energy: -68.526
tors. eta vs tors. theta energy: -117.762
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1564.397118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.397118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.397118 (E_RNA)
where:
Base-Base interactions energy: -1099.627
where: short stacking energy: -445.880
Base-Backbone interact. energy: -1.758
local terms energy: -463.012090
where:
bonds (distance) C4'-P energy: -96.125
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -103.119
flat angles P-C4'-P energy: -72.863
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: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1252.200690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.200690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.200690 (E_RNA)
where:
Base-Base interactions energy: -853.990
where: short stacking energy: -372.320
Base-Backbone interact. energy: -3.363
local terms energy: -394.847315
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -81.606
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -71.801
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1319.161402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.161402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.161402 (E_RNA)
where:
Base-Base interactions energy: -901.329
where: short stacking energy: -360.950
Base-Backbone interact. energy: -0.805
local terms energy: -417.028125
where:
bonds (distance) C4'-P energy: -86.973
bonds (distance) P-C4' energy: -97.111
flat angles C4'-P-C4' energy: -100.341
flat angles P-C4'-P energy: -53.323
tors. eta vs tors. theta energy: -79.281
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: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -807.089532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.089532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.089532 (E_RNA)
where:
Base-Base interactions energy: -485.995
where: short stacking energy: -248.122
Base-Backbone interact. energy: 0.590
local terms energy: -321.684143
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -93.255
flat angles C4'-P-C4' energy: -88.679
flat angles P-C4'-P energy: -45.553
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1938.183543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.183543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.183543 (E_RNA)
where:
Base-Base interactions energy: -1357.588
where: short stacking energy: -596.027
Base-Backbone interact. energy: -2.341
local terms energy: -578.254632
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -105.111
flat angles C4'-P-C4' energy: -131.144
flat angles P-C4'-P energy: -88.559
tors. eta vs tors. theta energy: -155.408
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1793.753677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.753677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.753677 (E_RNA)
where:
Base-Base interactions energy: -1239.104
where: short stacking energy: -542.972
Base-Backbone interact. energy: -3.081
local terms energy: -551.569023
where:
bonds (distance) C4'-P energy: -107.306
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -122.353
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -145.082
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: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1797.106383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.106383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.106383 (E_RNA)
where:
Base-Base interactions energy: -1260.350
where: short stacking energy: -508.260
Base-Backbone interact. energy: 8.480
local terms energy: -545.236332
where:
bonds (distance) C4'-P energy: -92.872
bonds (distance) P-C4' energy: -115.713
flat angles C4'-P-C4' energy: -106.752
flat angles P-C4'-P energy: -89.859
tors. eta vs tors. theta energy: -140.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1737.684502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.684502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.684502 (E_RNA)
where:
Base-Base interactions energy: -1198.452
where: short stacking energy: -518.744
Base-Backbone interact. energy: -0.212
local terms energy: -539.021101
where:
bonds (distance) C4'-P energy: -102.106
bonds (distance) P-C4' energy: -102.593
flat angles C4'-P-C4' energy: -111.037
flat angles P-C4'-P energy: -82.084
tors. eta vs tors. theta energy: -141.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1638.030818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.030818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.030818 (E_RNA)
where:
Base-Base interactions energy: -1156.346
where: short stacking energy: -459.409
Base-Backbone interact. energy: 1.979
local terms energy: -483.663558
where:
bonds (distance) C4'-P energy: -95.383
bonds (distance) P-C4' energy: -100.989
flat angles C4'-P-C4' energy: -102.697
flat angles P-C4'-P energy: -60.388
tors. eta vs tors. theta energy: -124.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1517.416278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.416278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.416278 (E_RNA)
where:
Base-Base interactions energy: -1028.922
where: short stacking energy: -441.173
Base-Backbone interact. energy: -2.720
local terms energy: -485.775181
where:
bonds (distance) C4'-P energy: -100.085
bonds (distance) P-C4' energy: -100.116
flat angles C4'-P-C4' energy: -109.805
flat angles P-C4'-P energy: -64.410
tors. eta vs tors. theta energy: -111.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1569.223794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.223794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.223794 (E_RNA)
where:
Base-Base interactions energy: -1088.643
where: short stacking energy: -450.857
Base-Backbone interact. energy: -2.463
local terms energy: -478.117673
where:
bonds (distance) C4'-P energy: -82.108
bonds (distance) P-C4' energy: -107.714
flat angles C4'-P-C4' energy: -106.091
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -116.239
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: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1269.771380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.771380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.771380 (E_RNA)
where:
Base-Base interactions energy: -844.167
where: short stacking energy: -347.694
Base-Backbone interact. energy: 1.678
local terms energy: -427.282329
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -69.699
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: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1263.349488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.349488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.349488 (E_RNA)
where:
Base-Base interactions energy: -881.086
where: short stacking energy: -356.928
Base-Backbone interact. energy: -1.268
local terms energy: -380.995665
where:
bonds (distance) C4'-P energy: -89.186
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -85.192
flat angles P-C4'-P energy: -58.865
tors. eta vs tors. theta energy: -58.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -843.851728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.851728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.851728 (E_RNA)
where:
Base-Base interactions energy: -526.000
where: short stacking energy: -278.964
Base-Backbone interact. energy: 3.945
local terms energy: -321.796866
where:
bonds (distance) C4'-P energy: -85.928
bonds (distance) P-C4' energy: -85.138
flat angles C4'-P-C4' energy: -67.971
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1945.471562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.471562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.471562 (E_RNA)
where:
Base-Base interactions energy: -1360.001
where: short stacking energy: -564.433
Base-Backbone interact. energy: -2.161
local terms energy: -583.309046
where:
bonds (distance) C4'-P energy: -115.722
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -120.744
flat angles P-C4'-P energy: -84.857
tors. eta vs tors. theta energy: -166.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1854.615623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.615623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.615623 (E_RNA)
where:
Base-Base interactions energy: -1294.053
where: short stacking energy: -538.652
Base-Backbone interact. energy: -0.885
local terms energy: -559.676870
where:
bonds (distance) C4'-P energy: -96.500
bonds (distance) P-C4' energy: -107.316
flat angles C4'-P-C4' energy: -126.191
flat angles P-C4'-P energy: -82.177
tors. eta vs tors. theta energy: -147.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1795.377136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.377136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.377136 (E_RNA)
where:
Base-Base interactions energy: -1239.195
where: short stacking energy: -536.503
Base-Backbone interact. energy: -0.824
local terms energy: -555.358234
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -101.722
flat angles C4'-P-C4' energy: -120.469
flat angles P-C4'-P energy: -84.561
tors. eta vs tors. theta energy: -146.039
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: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1739.912757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.912757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.912757 (E_RNA)
where:
Base-Base interactions energy: -1215.442
where: short stacking energy: -509.926
Base-Backbone interact. energy: -1.556
local terms energy: -522.915261
where:
bonds (distance) C4'-P energy: -97.367
bonds (distance) P-C4' energy: -104.370
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -129.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1651.407513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.407513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.407513 (E_RNA)
where:
Base-Base interactions energy: -1154.625
where: short stacking energy: -461.896
Base-Backbone interact. energy: 3.815
local terms energy: -500.597889
where:
bonds (distance) C4'-P energy: -83.003
bonds (distance) P-C4' energy: -108.151
flat angles C4'-P-C4' energy: -123.158
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -123.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1604.616077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.616077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.616077 (E_RNA)
where:
Base-Base interactions energy: -1138.077
where: short stacking energy: -447.837
Base-Backbone interact. energy: 4.515
local terms energy: -471.053200
where:
bonds (distance) C4'-P energy: -97.980
bonds (distance) P-C4' energy: -84.718
flat angles C4'-P-C4' energy: -105.380
flat angles P-C4'-P energy: -67.738
tors. eta vs tors. theta energy: -115.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1432.275642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.275642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.275642 (E_RNA)
where:
Base-Base interactions energy: -979.371
where: short stacking energy: -397.002
Base-Backbone interact. energy: -1.560
local terms energy: -451.344923
where:
bonds (distance) C4'-P energy: -83.771
bonds (distance) P-C4' energy: -111.681
flat angles C4'-P-C4' energy: -96.744
flat angles P-C4'-P energy: -62.150
tors. eta vs tors. theta energy: -96.999
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1329.819809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.819809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.819809 (E_RNA)
where:
Base-Base interactions energy: -916.458
where: short stacking energy: -384.384
Base-Backbone interact. energy: 5.566
local terms energy: -418.927511
where:
bonds (distance) C4'-P energy: -89.426
bonds (distance) P-C4' energy: -92.050
flat angles C4'-P-C4' energy: -103.505
flat angles P-C4'-P energy: -54.103
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: 77
Temperature: 1.300000
Total energy: -1187.529343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.529343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.529343 (E_RNA)
where:
Base-Base interactions energy: -822.301
where: short stacking energy: -352.996
Base-Backbone interact. energy: -0.350
local terms energy: -364.877368
where:
bonds (distance) C4'-P energy: -75.430
bonds (distance) P-C4' energy: -74.260
flat angles C4'-P-C4' energy: -94.921
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -66.064
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: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -793.462147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.462147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.462147 (E_RNA)
where:
Base-Base interactions energy: -479.665
where: short stacking energy: -236.175
Base-Backbone interact. energy: -0.633
local terms energy: -313.164438
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -98.793
flat angles C4'-P-C4' energy: -80.144
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1928.864866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.864866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.864866 (E_RNA)
where:
Base-Base interactions energy: -1345.938
where: short stacking energy: -577.911
Base-Backbone interact. energy: -2.783
local terms energy: -580.143766
where:
bonds (distance) C4'-P energy: -90.744
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -118.811
flat angles P-C4'-P energy: -84.364
tors. eta vs tors. theta energy: -173.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1835.165310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.165310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.165310 (E_RNA)
where:
Base-Base interactions energy: -1283.758
where: short stacking energy: -535.103
Base-Backbone interact. energy: -0.354
local terms energy: -551.052401
where:
bonds (distance) C4'-P energy: -94.890
bonds (distance) P-C4' energy: -108.088
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -82.428
tors. eta vs tors. theta energy: -143.037
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: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1775.370993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.370993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.370993 (E_RNA)
where:
Base-Base interactions energy: -1247.965
where: short stacking energy: -517.208
Base-Backbone interact. energy: 1.105
local terms energy: -528.510220
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -92.940
flat angles C4'-P-C4' energy: -121.199
flat angles P-C4'-P energy: -69.999
tors. eta vs tors. theta energy: -143.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1740.298724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.298724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.298724 (E_RNA)
where:
Base-Base interactions energy: -1217.566
where: short stacking energy: -512.999
Base-Backbone interact. energy: -2.079
local terms energy: -520.653655
where:
bonds (distance) C4'-P energy: -87.721
bonds (distance) P-C4' energy: -89.677
flat angles C4'-P-C4' energy: -118.203
flat angles P-C4'-P energy: -80.049
tors. eta vs tors. theta energy: -145.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1677.330363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.330363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.330363 (E_RNA)
where:
Base-Base interactions energy: -1190.072
where: short stacking energy: -504.464
Base-Backbone interact. energy: -1.860
local terms energy: -485.398604
where:
bonds (distance) C4'-P energy: -91.546
bonds (distance) P-C4' energy: -98.417
flat angles C4'-P-C4' energy: -102.446
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -126.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1588.043462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.043462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.043462 (E_RNA)
where:
Base-Base interactions energy: -1095.072
where: short stacking energy: -437.634
Base-Backbone interact. energy: 1.934
local terms energy: -494.906183
where:
bonds (distance) C4'-P energy: -82.863
bonds (distance) P-C4' energy: -102.547
flat angles C4'-P-C4' energy: -100.338
flat angles P-C4'-P energy: -87.657
tors. eta vs tors. theta energy: -121.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1458.326185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.326185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.326185 (E_RNA)
where:
Base-Base interactions energy: -1008.400
where: short stacking energy: -441.390
Base-Backbone interact. energy: -0.657
local terms energy: -449.269057
where:
bonds (distance) C4'-P energy: -82.166
bonds (distance) P-C4' energy: -93.748
flat angles C4'-P-C4' energy: -106.969
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -107.259
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1348.140785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.140785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.140785 (E_RNA)
where:
Base-Base interactions energy: -909.089
where: short stacking energy: -374.443
Base-Backbone interact. energy: -4.318
local terms energy: -434.734057
where:
bonds (distance) C4'-P energy: -74.608
bonds (distance) P-C4' energy: -91.504
flat angles C4'-P-C4' energy: -99.073
flat angles P-C4'-P energy: -75.849
tors. eta vs tors. theta energy: -93.700
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1180.831161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.831161 (E_RNA)
where:
Base-Base interactions energy: -809.528
where: short stacking energy: -359.939
Base-Backbone interact. energy: 0.178
local terms energy: -371.481505
where:
bonds (distance) C4'-P energy: -61.911
bonds (distance) P-C4' energy: -94.345
flat angles C4'-P-C4' energy: -86.712
flat angles P-C4'-P energy: -67.186
tors. eta vs tors. theta energy: -61.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -813.115506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.115506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.115506 (E_RNA)
where:
Base-Base interactions energy: -514.330
where: short stacking energy: -241.730
Base-Backbone interact. energy: 0.641
local terms energy: -299.426391
where:
bonds (distance) C4'-P energy: -82.903
bonds (distance) P-C4' energy: -84.530
flat angles C4'-P-C4' energy: -73.898
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1926.340212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.340212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.340212 (E_RNA)
where:
Base-Base interactions energy: -1312.401
where: short stacking energy: -549.359
Base-Backbone interact. energy: -3.112
local terms energy: -610.827113
where:
bonds (distance) C4'-P energy: -112.755
bonds (distance) P-C4' energy: -115.950
flat angles C4'-P-C4' energy: -130.434
flat angles P-C4'-P energy: -91.651
tors. eta vs tors. theta energy: -160.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1827.545103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.545103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.545103 (E_RNA)
where:
Base-Base interactions energy: -1284.818
where: short stacking energy: -525.280
Base-Backbone interact. energy: 2.821
local terms energy: -545.548751
where:
bonds (distance) C4'-P energy: -103.579
bonds (distance) P-C4' energy: -110.401
flat angles C4'-P-C4' energy: -115.084
flat angles P-C4'-P energy: -71.111
tors. eta vs tors. theta energy: -145.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1736.991672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.991672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.991672 (E_RNA)
where:
Base-Base interactions energy: -1197.535
where: short stacking energy: -525.697
Base-Backbone interact. energy: 1.483
local terms energy: -540.939246
where:
bonds (distance) C4'-P energy: -103.628
bonds (distance) P-C4' energy: -99.048
flat angles C4'-P-C4' energy: -120.417
flat angles P-C4'-P energy: -86.461
tors. eta vs tors. theta energy: -131.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1743.088808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.088808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.088808 (E_RNA)
where:
Base-Base interactions energy: -1232.258
where: short stacking energy: -514.991
Base-Backbone interact. energy: 5.260
local terms energy: -516.091103
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -101.087
flat angles C4'-P-C4' energy: -112.369
flat angles P-C4'-P energy: -79.823
tors. eta vs tors. theta energy: -133.234
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1659.587597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.587597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.587597 (E_RNA)
where:
Base-Base interactions energy: -1172.597
where: short stacking energy: -467.008
Base-Backbone interact. energy: -3.740
local terms energy: -483.251065
where:
bonds (distance) C4'-P energy: -96.442
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -108.992
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -120.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1572.175315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.175315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.175315 (E_RNA)
where:
Base-Base interactions energy: -1093.803
where: short stacking energy: -441.091
Base-Backbone interact. energy: -4.076
local terms energy: -474.295957
where:
bonds (distance) C4'-P energy: -103.708
bonds (distance) P-C4' energy: -91.279
flat angles C4'-P-C4' energy: -104.115
flat angles P-C4'-P energy: -69.222
tors. eta vs tors. theta energy: -105.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1398.548867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.548867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.548867 (E_RNA)
where:
Base-Base interactions energy: -967.472
where: short stacking energy: -435.002
Base-Backbone interact. energy: -2.035
local terms energy: -429.041783
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -78.463
flat angles C4'-P-C4' energy: -101.067
flat angles P-C4'-P energy: -68.679
tors. eta vs tors. theta energy: -90.809
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1230.311316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.311316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.311316 (E_RNA)
where:
Base-Base interactions energy: -810.198
where: short stacking energy: -352.726
Base-Backbone interact. energy: -0.856
local terms energy: -419.257155
where:
bonds (distance) C4'-P energy: -92.899
bonds (distance) P-C4' energy: -86.778
flat angles C4'-P-C4' energy: -99.011
flat angles P-C4'-P energy: -60.112
tors. eta vs tors. theta energy: -80.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1347.454374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.454374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.454374 (E_RNA)
where:
Base-Base interactions energy: -942.018
where: short stacking energy: -380.237
Base-Backbone interact. energy: -2.583
local terms energy: -402.853134
where:
bonds (distance) C4'-P energy: -92.552
bonds (distance) P-C4' energy: -78.077
flat angles C4'-P-C4' energy: -97.037
flat angles P-C4'-P energy: -56.254
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -842.667170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.667170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.667170 (E_RNA)
where:
Base-Base interactions energy: -494.836
where: short stacking energy: -235.192
Base-Backbone interact. energy: -1.041
local terms energy: -346.790289
where:
bonds (distance) C4'-P energy: -93.171
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -100.376
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1928.354820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.354820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.354820 (E_RNA)
where:
Base-Base interactions energy: -1327.978
where: short stacking energy: -543.897
Base-Backbone interact. energy: -1.070
local terms energy: -599.306540
where:
bonds (distance) C4'-P energy: -112.322
bonds (distance) P-C4' energy: -117.649
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -93.431
tors. eta vs tors. theta energy: -160.731
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: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1835.999638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.999638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.999638 (E_RNA)
where:
Base-Base interactions energy: -1294.287
where: short stacking energy: -545.064
Base-Backbone interact. energy: 1.099
local terms energy: -542.812014
where:
bonds (distance) C4'-P energy: -102.505
bonds (distance) P-C4' energy: -108.553
flat angles C4'-P-C4' energy: -110.616
flat angles P-C4'-P energy: -69.261
tors. eta vs tors. theta energy: -151.877
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: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1761.324217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.324217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.324217 (E_RNA)
where:
Base-Base interactions energy: -1218.563
where: short stacking energy: -508.397
Base-Backbone interact. energy: 0.452
local terms energy: -543.213986
where:
bonds (distance) C4'-P energy: -103.096
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -122.540
flat angles P-C4'-P energy: -84.467
tors. eta vs tors. theta energy: -126.788
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: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1761.847636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.847636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.847636 (E_RNA)
where:
Base-Base interactions energy: -1245.056
where: short stacking energy: -523.272
Base-Backbone interact. energy: -0.921
local terms energy: -515.870692
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -95.627
flat angles C4'-P-C4' energy: -113.289
flat angles P-C4'-P energy: -75.782
tors. eta vs tors. theta energy: -138.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1644.576221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.576221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.576221 (E_RNA)
where:
Base-Base interactions energy: -1134.026
where: short stacking energy: -443.921
Base-Backbone interact. energy: 0.107
local terms energy: -510.656618
where:
bonds (distance) C4'-P energy: -110.103
bonds (distance) P-C4' energy: -111.166
flat angles C4'-P-C4' energy: -108.651
flat angles P-C4'-P energy: -69.159
tors. eta vs tors. theta energy: -111.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1580.426257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.426257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.426257 (E_RNA)
where:
Base-Base interactions energy: -1107.327
where: short stacking energy: -460.912
Base-Backbone interact. energy: -2.329
local terms energy: -470.770242
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -90.930
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -125.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1414.669461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.669461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.669461 (E_RNA)
where:
Base-Base interactions energy: -965.497
where: short stacking energy: -420.381
Base-Backbone interact. energy: -2.622
local terms energy: -446.550893
where:
bonds (distance) C4'-P energy: -85.389
bonds (distance) P-C4' energy: -88.472
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -65.992
tors. eta vs tors. theta energy: -101.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1238.524793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.524793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.524793 (E_RNA)
where:
Base-Base interactions energy: -832.294
where: short stacking energy: -360.594
Base-Backbone interact. energy: -3.190
local terms energy: -403.040278
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -82.899
flat angles C4'-P-C4' energy: -92.684
flat angles P-C4'-P energy: -65.803
tors. eta vs tors. theta energy: -82.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1385.145224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.145224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.145224 (E_RNA)
where:
Base-Base interactions energy: -947.204
where: short stacking energy: -384.958
Base-Backbone interact. energy: 2.316
local terms energy: -440.258047
where:
bonds (distance) C4'-P energy: -83.415
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -90.858
flat angles P-C4'-P energy: -67.613
tors. eta vs tors. theta energy: -92.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -874.130994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.130994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.130994 (E_RNA)
where:
Base-Base interactions energy: -554.521
where: short stacking energy: -239.517
Base-Backbone interact. energy: 3.154
local terms energy: -322.763549
where:
bonds (distance) C4'-P energy: -78.080
bonds (distance) P-C4' energy: -79.278
flat angles C4'-P-C4' energy: -91.359
flat angles P-C4'-P energy: -61.189
tors. eta vs tors. theta energy: -12.858
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: 81
Temperature: 0.900000
Total energy: -1931.533419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.533419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.533419 (E_RNA)
where:
Base-Base interactions energy: -1351.730
where: short stacking energy: -567.139
Base-Backbone interact. energy: -3.354
local terms energy: -576.449156
where:
bonds (distance) C4'-P energy: -105.476
bonds (distance) P-C4' energy: -112.645
flat angles C4'-P-C4' energy: -132.772
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -153.395
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1834.383588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.383588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.383588 (E_RNA)
where:
Base-Base interactions energy: -1266.692
where: short stacking energy: -534.912
Base-Backbone interact. energy: -2.709
local terms energy: -564.982531
where:
bonds (distance) C4'-P energy: -106.638
bonds (distance) P-C4' energy: -96.497
flat angles C4'-P-C4' energy: -120.772
flat angles P-C4'-P energy: -89.561
tors. eta vs tors. theta energy: -151.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1750.917277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.917277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.917277 (E_RNA)
where:
Base-Base interactions energy: -1211.706
where: short stacking energy: -520.267
Base-Backbone interact. energy: -1.509
local terms energy: -537.702118
where:
bonds (distance) C4'-P energy: -95.258
bonds (distance) P-C4' energy: -93.645
flat angles C4'-P-C4' energy: -117.177
flat angles P-C4'-P energy: -89.524
tors. eta vs tors. theta energy: -142.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1727.588641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.588641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.588641 (E_RNA)
where:
Base-Base interactions energy: -1227.019
where: short stacking energy: -493.436
Base-Backbone interact. energy: 2.188
local terms energy: -502.757865
where:
bonds (distance) C4'-P energy: -109.041
bonds (distance) P-C4' energy: -97.319
flat angles C4'-P-C4' energy: -111.154
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -129.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1636.669797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.669797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.669797 (E_RNA)
where:
Base-Base interactions energy: -1137.593
where: short stacking energy: -443.698
Base-Backbone interact. energy: -3.352
local terms energy: -495.724734
where:
bonds (distance) C4'-P energy: -89.508
bonds (distance) P-C4' energy: -110.857
flat angles C4'-P-C4' energy: -105.535
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -111.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1594.746993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.746993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.746993 (E_RNA)
where:
Base-Base interactions energy: -1109.477
where: short stacking energy: -460.803
Base-Backbone interact. energy: -0.668
local terms energy: -484.602078
where:
bonds (distance) C4'-P energy: -91.778
bonds (distance) P-C4' energy: -99.046
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -112.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1421.375681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.375681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.375681 (E_RNA)
where:
Base-Base interactions energy: -988.264
where: short stacking energy: -417.813
Base-Backbone interact. energy: -2.984
local terms energy: -430.127715
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -83.357
flat angles C4'-P-C4' energy: -109.825
flat angles P-C4'-P energy: -57.762
tors. eta vs tors. theta energy: -95.235
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: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1412.826992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.826992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.826992 (E_RNA)
where:
Base-Base interactions energy: -982.302
where: short stacking energy: -409.541
Base-Backbone interact. energy: -2.308
local terms energy: -428.216733
where:
bonds (distance) C4'-P energy: -86.665
bonds (distance) P-C4' energy: -85.841
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -61.360
tors. eta vs tors. theta energy: -88.268
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: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1193.188409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.188409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.188409 (E_RNA)
where:
Base-Base interactions energy: -782.696
where: short stacking energy: -338.736
Base-Backbone interact. energy: -1.593
local terms energy: -408.898895
where:
bonds (distance) C4'-P energy: -91.077
bonds (distance) P-C4' energy: -99.230
flat angles C4'-P-C4' energy: -85.894
flat angles P-C4'-P energy: -58.018
tors. eta vs tors. theta energy: -74.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -866.866444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.866444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.866444 (E_RNA)
where:
Base-Base interactions energy: -517.096
where: short stacking energy: -231.366
Base-Backbone interact. energy: -3.240
local terms energy: -346.529878
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -96.578
flat angles C4'-P-C4' energy: -75.773
flat angles P-C4'-P energy: -68.307
tors. eta vs tors. theta energy: -22.840
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: 82
Temperature: 0.900000
Total energy: -1941.614734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.614734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.614734 (E_RNA)
where:
Base-Base interactions energy: -1370.429
where: short stacking energy: -567.821
Base-Backbone interact. energy: -2.670
local terms energy: -568.516125
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -106.072
flat angles C4'-P-C4' energy: -122.420
flat angles P-C4'-P energy: -91.099
tors. eta vs tors. theta energy: -152.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1823.643439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.643439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.643439 (E_RNA)
where:
Base-Base interactions energy: -1296.230
where: short stacking energy: -534.254
Base-Backbone interact. energy: -0.417
local terms energy: -526.995912
where:
bonds (distance) C4'-P energy: -91.759
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -117.644
flat angles P-C4'-P energy: -77.738
tors. eta vs tors. theta energy: -142.620
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1729.297393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.297393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.297393 (E_RNA)
where:
Base-Base interactions energy: -1206.111
where: short stacking energy: -514.862
Base-Backbone interact. energy: 0.200
local terms energy: -523.386296
where:
bonds (distance) C4'-P energy: -89.039
bonds (distance) P-C4' energy: -109.106
flat angles C4'-P-C4' energy: -116.640
flat angles P-C4'-P energy: -77.810
tors. eta vs tors. theta energy: -130.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1700.058665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.058665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.058665 (E_RNA)
where:
Base-Base interactions energy: -1199.380
where: short stacking energy: -492.484
Base-Backbone interact. energy: -3.575
local terms energy: -497.103468
where:
bonds (distance) C4'-P energy: -85.139
bonds (distance) P-C4' energy: -103.306
flat angles C4'-P-C4' energy: -104.164
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -135.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1674.346547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.346547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.346547 (E_RNA)
where:
Base-Base interactions energy: -1167.862
where: short stacking energy: -469.578
Base-Backbone interact. energy: 0.854
local terms energy: -507.338976
where:
bonds (distance) C4'-P energy: -93.265
bonds (distance) P-C4' energy: -107.117
flat angles C4'-P-C4' energy: -116.011
flat angles P-C4'-P energy: -63.703
tors. eta vs tors. theta energy: -127.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1604.982353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.982353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.982353 (E_RNA)
where:
Base-Base interactions energy: -1125.763
where: short stacking energy: -456.976
Base-Backbone interact. energy: -1.799
local terms energy: -477.420350
where:
bonds (distance) C4'-P energy: -97.010
bonds (distance) P-C4' energy: -89.522
flat angles C4'-P-C4' energy: -115.341
flat angles P-C4'-P energy: -61.545
tors. eta vs tors. theta energy: -114.003
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: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1399.658751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.658751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.658751 (E_RNA)
where:
Base-Base interactions energy: -949.921
where: short stacking energy: -398.305
Base-Backbone interact. energy: 6.174
local terms energy: -455.911915
where:
bonds (distance) C4'-P energy: -94.787
bonds (distance) P-C4' energy: -93.956
flat angles C4'-P-C4' energy: -100.591
flat angles P-C4'-P energy: -68.895
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: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1382.699434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.699434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.699434 (E_RNA)
where:
Base-Base interactions energy: -957.800
where: short stacking energy: -384.849
Base-Backbone interact. energy: -2.140
local terms energy: -422.759820
where:
bonds (distance) C4'-P energy: -85.740
bonds (distance) P-C4' energy: -81.596
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -93.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1198.088989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.088989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.088989 (E_RNA)
where:
Base-Base interactions energy: -792.629
where: short stacking energy: -335.524
Base-Backbone interact. energy: -1.869
local terms energy: -403.590892
where:
bonds (distance) C4'-P energy: -84.691
bonds (distance) P-C4' energy: -72.159
flat angles C4'-P-C4' energy: -112.189
flat angles P-C4'-P energy: -58.323
tors. eta vs tors. theta energy: -76.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -896.961716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.961716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.961716 (E_RNA)
where:
Base-Base interactions energy: -570.166
where: short stacking energy: -264.149
Base-Backbone interact. energy: 2.449
local terms energy: -329.244431
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -85.921
flat angles C4'-P-C4' energy: -71.711
flat angles P-C4'-P energy: -58.879
tors. eta vs tors. theta energy: -38.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1917.066009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.066009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.066009 (E_RNA)
where:
Base-Base interactions energy: -1312.509
where: short stacking energy: -551.704
Base-Backbone interact. energy: -3.671
local terms energy: -600.886223
where:
bonds (distance) C4'-P energy: -109.200
bonds (distance) P-C4' energy: -114.724
flat angles C4'-P-C4' energy: -127.557
flat angles P-C4'-P energy: -94.550
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: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1829.990718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.990718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.990718 (E_RNA)
where:
Base-Base interactions energy: -1281.885
where: short stacking energy: -542.305
Base-Backbone interact. energy: -1.381
local terms energy: -546.724786
where:
bonds (distance) C4'-P energy: -100.338
bonds (distance) P-C4' energy: -110.213
flat angles C4'-P-C4' energy: -118.648
flat angles P-C4'-P energy: -70.363
tors. eta vs tors. theta energy: -147.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1731.534697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.534697 (E_RNA)
where:
Base-Base interactions energy: -1209.827
where: short stacking energy: -513.762
Base-Backbone interact. energy: -1.071
local terms energy: -520.636862
where:
bonds (distance) C4'-P energy: -94.312
bonds (distance) P-C4' energy: -99.324
flat angles C4'-P-C4' energy: -119.228
flat angles P-C4'-P energy: -77.398
tors. eta vs tors. theta energy: -130.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1709.776795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.776795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.776795 (E_RNA)
where:
Base-Base interactions energy: -1203.210
where: short stacking energy: -530.295
Base-Backbone interact. energy: -3.229
local terms energy: -503.337700
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -83.229
flat angles C4'-P-C4' energy: -109.385
flat angles P-C4'-P energy: -67.755
tors. eta vs tors. theta energy: -139.247
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: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1668.192783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.192783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.192783 (E_RNA)
where:
Base-Base interactions energy: -1178.277
where: short stacking energy: -464.011
Base-Backbone interact. energy: -2.403
local terms energy: -487.513239
where:
bonds (distance) C4'-P energy: -83.689
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -116.221
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -128.034
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: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1586.961786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.961786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.961786 (E_RNA)
where:
Base-Base interactions energy: -1111.305
where: short stacking energy: -452.397
Base-Backbone interact. energy: 1.263
local terms energy: -476.920732
where:
bonds (distance) C4'-P energy: -87.870
bonds (distance) P-C4' energy: -83.365
flat angles C4'-P-C4' energy: -112.238
flat angles P-C4'-P energy: -75.490
tors. eta vs tors. theta energy: -117.959
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1484.473832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.473832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.473832 (E_RNA)
where:
Base-Base interactions energy: -1017.843
where: short stacking energy: -437.831
Base-Backbone interact. energy: 0.296
local terms energy: -466.926285
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -93.374
flat angles C4'-P-C4' energy: -112.199
flat angles P-C4'-P energy: -58.047
tors. eta vs tors. theta energy: -109.731
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1375.294154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.294154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.294154 (E_RNA)
where:
Base-Base interactions energy: -964.737
where: short stacking energy: -390.100
Base-Backbone interact. energy: -0.977
local terms energy: -409.580387
where:
bonds (distance) C4'-P energy: -83.158
bonds (distance) P-C4' energy: -98.830
flat angles C4'-P-C4' energy: -79.462
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: -86.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1246.271328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.271328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.271328 (E_RNA)
where:
Base-Base interactions energy: -823.685
where: short stacking energy: -348.443
Base-Backbone interact. energy: -1.824
local terms energy: -420.762293
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -107.878
flat angles C4'-P-C4' energy: -89.449
flat angles P-C4'-P energy: -66.197
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: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -867.177183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.177183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.177183 (E_RNA)
where:
Base-Base interactions energy: -543.749
where: short stacking energy: -242.571
Base-Backbone interact. energy: -3.296
local terms energy: -320.132441
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -81.081
flat angles C4'-P-C4' energy: -96.475
flat angles P-C4'-P energy: -53.399
tors. eta vs tors. theta energy: -13.735
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: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1931.447554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.447554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.447554 (E_RNA)
where:
Base-Base interactions energy: -1353.254
where: short stacking energy: -576.406
Base-Backbone interact. energy: -4.267
local terms energy: -573.926396
where:
bonds (distance) C4'-P energy: -96.338
bonds (distance) P-C4' energy: -109.804
flat angles C4'-P-C4' energy: -115.157
flat angles P-C4'-P energy: -85.207
tors. eta vs tors. theta energy: -167.420
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1851.801218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.801218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.801218 (E_RNA)
where:
Base-Base interactions energy: -1290.007
where: short stacking energy: -531.865
Base-Backbone interact. energy: -3.552
local terms energy: -558.241798
where:
bonds (distance) C4'-P energy: -109.915
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -87.207
tors. eta vs tors. theta energy: -144.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1757.810982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.810982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.810982 (E_RNA)
where:
Base-Base interactions energy: -1245.714
where: short stacking energy: -498.526
Base-Backbone interact. energy: 3.577
local terms energy: -515.674836
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -105.040
flat angles C4'-P-C4' energy: -110.092
flat angles P-C4'-P energy: -76.749
tors. eta vs tors. theta energy: -132.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1719.859922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.859922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.859922 (E_RNA)
where:
Base-Base interactions energy: -1219.527
where: short stacking energy: -499.488
Base-Backbone interact. energy: -0.607
local terms energy: -499.726523
where:
bonds (distance) C4'-P energy: -82.038
bonds (distance) P-C4' energy: -95.454
flat angles C4'-P-C4' energy: -121.701
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -138.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1678.181637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.181637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.181637 (E_RNA)
where:
Base-Base interactions energy: -1190.896
where: short stacking energy: -482.194
Base-Backbone interact. energy: 6.429
local terms energy: -493.714246
where:
bonds (distance) C4'-P energy: -94.821
bonds (distance) P-C4' energy: -97.078
flat angles C4'-P-C4' energy: -113.270
flat angles P-C4'-P energy: -66.633
tors. eta vs tors. theta energy: -121.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1608.577776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.577776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.577776 (E_RNA)
where:
Base-Base interactions energy: -1139.412
where: short stacking energy: -446.370
Base-Backbone interact. energy: -1.648
local terms energy: -467.517339
where:
bonds (distance) C4'-P energy: -92.189
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -102.500
flat angles P-C4'-P energy: -54.579
tors. eta vs tors. theta energy: -112.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1381.652012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.652012 (E_RNA)
where:
Base-Base interactions energy: -965.271
where: short stacking energy: -387.234
Base-Backbone interact. energy: -3.224
local terms energy: -413.157669
where:
bonds (distance) C4'-P energy: -78.219
bonds (distance) P-C4' energy: -87.336
flat angles C4'-P-C4' energy: -97.230
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -90.496
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: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1373.161230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.161230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.161230 (E_RNA)
where:
Base-Base interactions energy: -933.476
where: short stacking energy: -393.082
Base-Backbone interact. energy: 2.378
local terms energy: -442.063238
where:
bonds (distance) C4'-P energy: -79.775
bonds (distance) P-C4' energy: -101.974
flat angles C4'-P-C4' energy: -107.670
flat angles P-C4'-P energy: -55.559
tors. eta vs tors. theta energy: -97.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1167.642180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.642180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.642180 (E_RNA)
where:
Base-Base interactions energy: -787.538
where: short stacking energy: -345.851
Base-Backbone interact. energy: -0.369
local terms energy: -379.735702
where:
bonds (distance) C4'-P energy: -79.629
bonds (distance) P-C4' energy: -74.791
flat angles C4'-P-C4' energy: -100.603
flat angles P-C4'-P energy: -59.251
tors. eta vs tors. theta energy: -65.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -864.439097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.439097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.439097 (E_RNA)
where:
Base-Base interactions energy: -515.748
where: short stacking energy: -235.520
Base-Backbone interact. energy: 1.378
local terms energy: -350.068464
where:
bonds (distance) C4'-P energy: -91.566
bonds (distance) P-C4' energy: -94.149
flat angles C4'-P-C4' energy: -84.753
flat angles P-C4'-P energy: -48.423
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1957.575531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.575531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.575531 (E_RNA)
where:
Base-Base interactions energy: -1364.726
where: short stacking energy: -589.716
Base-Backbone interact. energy: -6.033
local terms energy: -586.817185
where:
bonds (distance) C4'-P energy: -96.873
bonds (distance) P-C4' energy: -101.555
flat angles C4'-P-C4' energy: -130.349
flat angles P-C4'-P energy: -88.718
tors. eta vs tors. theta energy: -169.322
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1840.450212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.450212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.450212 (E_RNA)
where:
Base-Base interactions energy: -1276.493
where: short stacking energy: -526.079
Base-Backbone interact. energy: -1.592
local terms energy: -562.365013
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -100.835
flat angles C4'-P-C4' energy: -116.145
flat angles P-C4'-P energy: -82.343
tors. eta vs tors. theta energy: -144.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1799.997035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.997035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.997035 (E_RNA)
where:
Base-Base interactions energy: -1259.534
where: short stacking energy: -533.857
Base-Backbone interact. energy: -2.209
local terms energy: -538.253905
where:
bonds (distance) C4'-P energy: -93.853
bonds (distance) P-C4' energy: -112.113
flat angles C4'-P-C4' energy: -114.960
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -146.723
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: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1710.319658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.319658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.319658 (E_RNA)
where:
Base-Base interactions energy: -1204.339
where: short stacking energy: -514.952
Base-Backbone interact. energy: 1.295
local terms energy: -507.275934
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -92.168
flat angles C4'-P-C4' energy: -110.851
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -143.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1666.402264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.402264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.402264 (E_RNA)
where:
Base-Base interactions energy: -1192.638
where: short stacking energy: -490.188
Base-Backbone interact. energy: -1.080
local terms energy: -472.684077
where:
bonds (distance) C4'-P energy: -98.756
bonds (distance) P-C4' energy: -73.871
flat angles C4'-P-C4' energy: -103.390
flat angles P-C4'-P energy: -73.869
tors. eta vs tors. theta energy: -122.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1630.229905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.229905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.229905 (E_RNA)
where:
Base-Base interactions energy: -1154.351
where: short stacking energy: -470.829
Base-Backbone interact. energy: -2.140
local terms energy: -473.738738
where:
bonds (distance) C4'-P energy: -90.397
bonds (distance) P-C4' energy: -93.703
flat angles C4'-P-C4' energy: -108.894
flat angles P-C4'-P energy: -65.913
tors. eta vs tors. theta energy: -114.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1441.395080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.395080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.395080 (E_RNA)
where:
Base-Base interactions energy: -1001.637
where: short stacking energy: -418.699
Base-Backbone interact. energy: -0.882
local terms energy: -438.875312
where:
bonds (distance) C4'-P energy: -86.094
bonds (distance) P-C4' energy: -89.597
flat angles C4'-P-C4' energy: -108.581
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -90.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1402.908155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.908155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.908155 (E_RNA)
where:
Base-Base interactions energy: -963.501
where: short stacking energy: -378.122
Base-Backbone interact. energy: 0.347
local terms energy: -439.754008
where:
bonds (distance) C4'-P energy: -85.627
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -56.456
tors. eta vs tors. theta energy: -86.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1185.481163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.481163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.481163 (E_RNA)
where:
Base-Base interactions energy: -784.527
where: short stacking energy: -333.420
Base-Backbone interact. energy: -0.110
local terms energy: -400.844163
where:
bonds (distance) C4'-P energy: -83.015
bonds (distance) P-C4' energy: -101.086
flat angles C4'-P-C4' energy: -89.936
flat angles P-C4'-P energy: -60.843
tors. eta vs tors. theta energy: -65.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -841.079871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.079871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.079871 (E_RNA)
where:
Base-Base interactions energy: -526.640
where: short stacking energy: -258.046
Base-Backbone interact. energy: -1.275
local terms energy: -313.165001
where:
bonds (distance) C4'-P energy: -82.918
bonds (distance) P-C4' energy: -82.410
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -44.515
tors. eta vs tors. theta energy: -41.993
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1960.431864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.431864 (E_RNA)
where:
Base-Base interactions energy: -1373.074
where: short stacking energy: -590.781
Base-Backbone interact. energy: -1.889
local terms energy: -585.468677
where:
bonds (distance) C4'-P energy: -106.447
bonds (distance) P-C4' energy: -104.472
flat angles C4'-P-C4' energy: -121.150
flat angles P-C4'-P energy: -73.289
tors. eta vs tors. theta energy: -180.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1820.246584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.246584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.246584 (E_RNA)
where:
Base-Base interactions energy: -1279.120
where: short stacking energy: -543.503
Base-Backbone interact. energy: 2.145
local terms energy: -543.271038
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -106.307
flat angles C4'-P-C4' energy: -118.919
flat angles P-C4'-P energy: -74.007
tors. eta vs tors. theta energy: -142.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1798.283912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.283912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.283912 (E_RNA)
where:
Base-Base interactions energy: -1261.145
where: short stacking energy: -512.561
Base-Backbone interact. energy: -1.771
local terms energy: -535.367866
where:
bonds (distance) C4'-P energy: -91.057
bonds (distance) P-C4' energy: -103.962
flat angles C4'-P-C4' energy: -110.360
flat angles P-C4'-P energy: -85.957
tors. eta vs tors. theta energy: -144.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1721.688674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.688674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.688674 (E_RNA)
where:
Base-Base interactions energy: -1207.349
where: short stacking energy: -526.680
Base-Backbone interact. energy: -2.081
local terms energy: -512.258099
where:
bonds (distance) C4'-P energy: -88.278
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -112.778
flat angles P-C4'-P energy: -80.775
tors. eta vs tors. theta energy: -138.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1676.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.859216 (E_RNA)
where:
Base-Base interactions energy: -1168.406
where: short stacking energy: -482.905
Base-Backbone interact. energy: -2.519
local terms energy: -505.933806
where:
bonds (distance) C4'-P energy: -87.266
bonds (distance) P-C4' energy: -99.878
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -61.699
tors. eta vs tors. theta energy: -142.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1630.982947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.982947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.982947 (E_RNA)
where:
Base-Base interactions energy: -1133.928
where: short stacking energy: -464.741
Base-Backbone interact. energy: 0.433
local terms energy: -497.488222
where:
bonds (distance) C4'-P energy: -100.167
bonds (distance) P-C4' energy: -95.714
flat angles C4'-P-C4' energy: -122.110
flat angles P-C4'-P energy: -65.455
tors. eta vs tors. theta energy: -114.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1399.209046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.209046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.209046 (E_RNA)
where:
Base-Base interactions energy: -954.394
where: short stacking energy: -403.212
Base-Backbone interact. energy: -3.204
local terms energy: -441.610204
where:
bonds (distance) C4'-P energy: -99.746
bonds (distance) P-C4' energy: -98.569
flat angles C4'-P-C4' energy: -84.118
flat angles P-C4'-P energy: -71.111
tors. eta vs tors. theta energy: -88.066
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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1357.165307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.165307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.165307 (E_RNA)
where:
Base-Base interactions energy: -945.144
where: short stacking energy: -388.965
Base-Backbone interact. energy: -1.705
local terms energy: -410.315866
where:
bonds (distance) C4'-P energy: -79.566
bonds (distance) P-C4' energy: -75.594
flat angles C4'-P-C4' energy: -97.353
flat angles P-C4'-P energy: -70.997
tors. eta vs tors. theta energy: -86.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1219.247693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.247693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.247693 (E_RNA)
where:
Base-Base interactions energy: -857.207
where: short stacking energy: -352.272
Base-Backbone interact. energy: -2.265
local terms energy: -359.775377
where:
bonds (distance) C4'-P energy: -76.385
bonds (distance) P-C4' energy: -88.674
flat angles C4'-P-C4' energy: -65.413
flat angles P-C4'-P energy: -48.213
tors. eta vs tors. theta energy: -81.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -835.052990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.052990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.052990 (E_RNA)
where:
Base-Base interactions energy: -530.745
where: short stacking energy: -250.209
Base-Backbone interact. energy: 1.452
local terms energy: -305.760427
where:
bonds (distance) C4'-P energy: -66.537
bonds (distance) P-C4' energy: -72.836
flat angles C4'-P-C4' energy: -80.668
flat angles P-C4'-P energy: -63.713
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1916.218081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.218081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.218081 (E_RNA)
where:
Base-Base interactions energy: -1321.409
where: short stacking energy: -574.821
Base-Backbone interact. energy: 1.570
local terms energy: -596.378765
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -104.410
flat angles C4'-P-C4' energy: -129.117
flat angles P-C4'-P energy: -92.030
tors. eta vs tors. theta energy: -163.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1835.261906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.261906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.261906 (E_RNA)
where:
Base-Base interactions energy: -1282.706
where: short stacking energy: -552.453
Base-Backbone interact. energy: -3.516
local terms energy: -549.039715
where:
bonds (distance) C4'-P energy: -97.811
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -123.691
flat angles P-C4'-P energy: -77.192
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: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1803.111373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.111373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.111373 (E_RNA)
where:
Base-Base interactions energy: -1267.862
where: short stacking energy: -535.081
Base-Backbone interact. energy: -2.706
local terms energy: -532.543224
where:
bonds (distance) C4'-P energy: -91.732
bonds (distance) P-C4' energy: -100.246
flat angles C4'-P-C4' energy: -118.171
flat angles P-C4'-P energy: -74.366
tors. eta vs tors. theta energy: -148.029
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: 87
Temperature: 1.050000
Total energy: -1722.441695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.441695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.441695 (E_RNA)
where:
Base-Base interactions energy: -1201.746
where: short stacking energy: -497.894
Base-Backbone interact. energy: -1.731
local terms energy: -518.964880
where:
bonds (distance) C4'-P energy: -95.480
bonds (distance) P-C4' energy: -96.834
flat angles C4'-P-C4' energy: -113.348
flat angles P-C4'-P energy: -76.683
tors. eta vs tors. theta energy: -136.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1641.910592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.910592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.910592 (E_RNA)
where:
Base-Base interactions energy: -1149.070
where: short stacking energy: -475.056
Base-Backbone interact. energy: -2.662
local terms energy: -490.179251
where:
bonds (distance) C4'-P energy: -97.214
bonds (distance) P-C4' energy: -97.792
flat angles C4'-P-C4' energy: -119.264
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -119.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1613.099504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.099504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.099504 (E_RNA)
where:
Base-Base interactions energy: -1151.761
where: short stacking energy: -462.811
Base-Backbone interact. energy: -0.301
local terms energy: -461.037250
where:
bonds (distance) C4'-P energy: -93.461
bonds (distance) P-C4' energy: -80.371
flat angles C4'-P-C4' energy: -105.436
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -127.785
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: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1405.686065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.686065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.686065 (E_RNA)
where:
Base-Base interactions energy: -952.684
where: short stacking energy: -428.517
Base-Backbone interact. energy: -0.577
local terms energy: -452.425232
where:
bonds (distance) C4'-P energy: -81.793
bonds (distance) P-C4' energy: -88.060
flat angles C4'-P-C4' energy: -103.327
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -108.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1368.723105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.723105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.723105 (E_RNA)
where:
Base-Base interactions energy: -958.697
where: short stacking energy: -392.905
Base-Backbone interact. energy: 2.638
local terms energy: -412.663502
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -72.326
flat angles C4'-P-C4' energy: -96.705
flat angles P-C4'-P energy: -69.832
tors. eta vs tors. theta energy: -98.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1223.279494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.279494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.279494 (E_RNA)
where:
Base-Base interactions energy: -834.184
where: short stacking energy: -361.207
Base-Backbone interact. energy: -2.170
local terms energy: -386.925447
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -88.369
flat angles C4'-P-C4' energy: -97.409
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -74.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -828.859429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.859429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.859429 (E_RNA)
where:
Base-Base interactions energy: -492.829
where: short stacking energy: -233.365
Base-Backbone interact. energy: -0.108
local terms energy: -335.922521
where:
bonds (distance) C4'-P energy: -84.635
bonds (distance) P-C4' energy: -82.446
flat angles C4'-P-C4' energy: -93.814
flat angles P-C4'-P energy: -50.247
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1886.295136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.295136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.295136 (E_RNA)
where:
Base-Base interactions energy: -1306.450
where: short stacking energy: -549.041
Base-Backbone interact. energy: 1.212
local terms energy: -581.057726
where:
bonds (distance) C4'-P energy: -113.600
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -128.075
flat angles P-C4'-P energy: -79.037
tors. eta vs tors. theta energy: -152.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1867.124730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.124730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.124730 (E_RNA)
where:
Base-Base interactions energy: -1289.674
where: short stacking energy: -551.820
Base-Backbone interact. energy: -0.705
local terms energy: -576.745564
where:
bonds (distance) C4'-P energy: -111.742
bonds (distance) P-C4' energy: -111.557
flat angles C4'-P-C4' energy: -116.961
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -150.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1773.950182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.950182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.950182 (E_RNA)
where:
Base-Base interactions energy: -1249.432
where: short stacking energy: -519.477
Base-Backbone interact. energy: 0.055
local terms energy: -524.572418
where:
bonds (distance) C4'-P energy: -100.234
bonds (distance) P-C4' energy: -95.364
flat angles C4'-P-C4' energy: -119.683
flat angles P-C4'-P energy: -68.218
tors. eta vs tors. theta energy: -141.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1748.911919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.911919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.911919 (E_RNA)
where:
Base-Base interactions energy: -1219.374
where: short stacking energy: -528.004
Base-Backbone interact. energy: -0.887
local terms energy: -528.651605
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -92.313
flat angles C4'-P-C4' energy: -110.621
flat angles P-C4'-P energy: -78.260
tors. eta vs tors. theta energy: -143.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1631.891207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.891207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.891207 (E_RNA)
where:
Base-Base interactions energy: -1159.618
where: short stacking energy: -496.472
Base-Backbone interact. energy: 1.291
local terms energy: -473.564116
where:
bonds (distance) C4'-P energy: -80.993
bonds (distance) P-C4' energy: -92.006
flat angles C4'-P-C4' energy: -107.959
flat angles P-C4'-P energy: -65.798
tors. eta vs tors. theta energy: -126.808
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: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1620.557580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.557580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.557580 (E_RNA)
where:
Base-Base interactions energy: -1128.111
where: short stacking energy: -464.408
Base-Backbone interact. energy: -2.140
local terms energy: -490.305954
where:
bonds (distance) C4'-P energy: -80.836
bonds (distance) P-C4' energy: -100.152
flat angles C4'-P-C4' energy: -111.073
flat angles P-C4'-P energy: -66.744
tors. eta vs tors. theta energy: -131.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1411.904361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.904361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.904361 (E_RNA)
where:
Base-Base interactions energy: -958.298
where: short stacking energy: -422.954
Base-Backbone interact. energy: -1.164
local terms energy: -452.441829
where:
bonds (distance) C4'-P energy: -86.153
bonds (distance) P-C4' energy: -88.618
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -69.004
tors. eta vs tors. theta energy: -103.604
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1413.116127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.116127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.116127 (E_RNA)
where:
Base-Base interactions energy: -976.944
where: short stacking energy: -418.032
Base-Backbone interact. energy: -1.924
local terms energy: -434.247818
where:
bonds (distance) C4'-P energy: -99.521
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -103.244
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -113.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1172.416843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.416843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.416843 (E_RNA)
where:
Base-Base interactions energy: -793.241
where: short stacking energy: -343.835
Base-Backbone interact. energy: 0.991
local terms energy: -380.167095
where:
bonds (distance) C4'-P energy: -71.473
bonds (distance) P-C4' energy: -96.641
flat angles C4'-P-C4' energy: -84.204
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -63.857
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: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -848.876902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.876902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.876902 (E_RNA)
where:
Base-Base interactions energy: -528.181
where: short stacking energy: -242.496
Base-Backbone interact. energy: -0.422
local terms energy: -320.273516
where:
bonds (distance) C4'-P energy: -72.235
bonds (distance) P-C4' energy: -72.788
flat angles C4'-P-C4' energy: -80.157
flat angles P-C4'-P energy: -51.080
tors. eta vs tors. theta energy: -44.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1934.754915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.754915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.754915 (E_RNA)
where:
Base-Base interactions energy: -1342.114
where: short stacking energy: -575.030
Base-Backbone interact. energy: 0.435
local terms energy: -593.076340
where:
bonds (distance) C4'-P energy: -105.922
bonds (distance) P-C4' energy: -120.121
flat angles C4'-P-C4' energy: -125.583
flat angles P-C4'-P energy: -75.205
tors. eta vs tors. theta energy: -166.245
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1866.154168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.154168 (E_RNA)
where:
Base-Base interactions energy: -1309.895
where: short stacking energy: -566.815
Base-Backbone interact. energy: -3.043
local terms energy: -553.216545
where:
bonds (distance) C4'-P energy: -96.697
bonds (distance) P-C4' energy: -102.132
flat angles C4'-P-C4' energy: -109.475
flat angles P-C4'-P energy: -87.472
tors. eta vs tors. theta energy: -157.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1767.711759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.711759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.711759 (E_RNA)
where:
Base-Base interactions energy: -1250.319
where: short stacking energy: -504.700
Base-Backbone interact. energy: 0.936
local terms energy: -518.328773
where:
bonds (distance) C4'-P energy: -85.423
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -114.844
flat angles P-C4'-P energy: -84.003
tors. eta vs tors. theta energy: -138.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1706.955630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.955630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.955630 (E_RNA)
where:
Base-Base interactions energy: -1193.555
where: short stacking energy: -508.552
Base-Backbone interact. energy: -0.737
local terms energy: -512.663192
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -89.188
flat angles C4'-P-C4' energy: -126.267
flat angles P-C4'-P energy: -71.934
tors. eta vs tors. theta energy: -137.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1631.063401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.063401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.063401 (E_RNA)
where:
Base-Base interactions energy: -1130.785
where: short stacking energy: -478.268
Base-Backbone interact. energy: 3.532
local terms energy: -503.810193
where:
bonds (distance) C4'-P energy: -87.356
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -118.820
flat angles P-C4'-P energy: -73.944
tors. eta vs tors. theta energy: -126.626
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: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1623.787210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.787210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.787210 (E_RNA)
where:
Base-Base interactions energy: -1151.139
where: short stacking energy: -467.252
Base-Backbone interact. energy: -2.990
local terms energy: -469.658135
where:
bonds (distance) C4'-P energy: -87.917
bonds (distance) P-C4' energy: -95.649
flat angles C4'-P-C4' energy: -95.749
flat angles P-C4'-P energy: -63.753
tors. eta vs tors. theta energy: -126.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1392.662849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.662849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.662849 (E_RNA)
where:
Base-Base interactions energy: -965.171
where: short stacking energy: -398.563
Base-Backbone interact. energy: 0.133
local terms energy: -427.624390
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -84.265
flat angles C4'-P-C4' energy: -91.644
flat angles P-C4'-P energy: -61.802
tors. eta vs tors. theta energy: -96.302
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: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1411.410850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.410850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.410850 (E_RNA)
where:
Base-Base interactions energy: -964.187
where: short stacking energy: -395.120
Base-Backbone interact. energy: -2.709
local terms energy: -444.514953
where:
bonds (distance) C4'-P energy: -88.220
bonds (distance) P-C4' energy: -95.774
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -62.427
tors. eta vs tors. theta energy: -93.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1204.948398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.948398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.948398 (E_RNA)
where:
Base-Base interactions energy: -816.039
where: short stacking energy: -343.376
Base-Backbone interact. energy: -1.955
local terms energy: -386.954297
where:
bonds (distance) C4'-P energy: -80.313
bonds (distance) P-C4' energy: -80.058
flat angles C4'-P-C4' energy: -82.297
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -85.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -844.783911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.783911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.783911 (E_RNA)
where:
Base-Base interactions energy: -531.896
where: short stacking energy: -239.258
Base-Backbone interact. energy: 0.877
local terms energy: -313.764239
where:
bonds (distance) C4'-P energy: -78.756
bonds (distance) P-C4' energy: -79.380
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -50.198
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1953.302070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.302070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.302070 (E_RNA)
where:
Base-Base interactions energy: -1361.153
where: short stacking energy: -575.230
Base-Backbone interact. energy: -1.093
local terms energy: -591.056348
where:
bonds (distance) C4'-P energy: -105.275
bonds (distance) P-C4' energy: -104.203
flat angles C4'-P-C4' energy: -128.433
flat angles P-C4'-P energy: -90.567
tors. eta vs tors. theta energy: -162.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1800.177548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.177548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.177548 (E_RNA)
where:
Base-Base interactions energy: -1231.470
where: short stacking energy: -522.547
Base-Backbone interact. energy: -1.374
local terms energy: -567.333631
where:
bonds (distance) C4'-P energy: -107.000
bonds (distance) P-C4' energy: -106.858
flat angles C4'-P-C4' energy: -128.663
flat angles P-C4'-P energy: -78.792
tors. eta vs tors. theta energy: -146.020
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: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1802.024392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.024392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.024392 (E_RNA)
where:
Base-Base interactions energy: -1256.849
where: short stacking energy: -530.264
Base-Backbone interact. energy: 0.857
local terms energy: -546.031791
where:
bonds (distance) C4'-P energy: -99.771
bonds (distance) P-C4' energy: -105.245
flat angles C4'-P-C4' energy: -125.139
flat angles P-C4'-P energy: -70.687
tors. eta vs tors. theta energy: -145.189
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: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1735.565722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.565722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.565722 (E_RNA)
where:
Base-Base interactions energy: -1225.203
where: short stacking energy: -510.333
Base-Backbone interact. energy: -2.113
local terms energy: -508.248841
where:
bonds (distance) C4'-P energy: -85.872
bonds (distance) P-C4' energy: -105.319
flat angles C4'-P-C4' energy: -117.791
flat angles P-C4'-P energy: -70.394
tors. eta vs tors. theta energy: -128.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1623.289784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.289784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.289784 (E_RNA)
where:
Base-Base interactions energy: -1145.774
where: short stacking energy: -465.975
Base-Backbone interact. energy: 0.950
local terms energy: -478.465633
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -92.341
flat angles C4'-P-C4' energy: -115.361
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -126.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1590.811231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.811231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.811231 (E_RNA)
where:
Base-Base interactions energy: -1126.328
where: short stacking energy: -452.754
Base-Backbone interact. energy: -2.206
local terms energy: -462.277381
where:
bonds (distance) C4'-P energy: -86.529
bonds (distance) P-C4' energy: -99.585
flat angles C4'-P-C4' energy: -108.969
flat angles P-C4'-P energy: -56.391
tors. eta vs tors. theta energy: -110.803
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1471.345324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.345324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.345324 (E_RNA)
where:
Base-Base interactions energy: -1015.571
where: short stacking energy: -443.395
Base-Backbone interact. energy: -0.523
local terms energy: -455.251968
where:
bonds (distance) C4'-P energy: -83.514
bonds (distance) P-C4' energy: -93.056
flat angles C4'-P-C4' energy: -103.228
flat angles P-C4'-P energy: -61.938
tors. eta vs tors. theta energy: -113.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1352.453434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.453434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.453434 (E_RNA)
where:
Base-Base interactions energy: -930.622
where: short stacking energy: -378.854
Base-Backbone interact. energy: 2.756
local terms energy: -424.587310
where:
bonds (distance) C4'-P energy: -81.154
bonds (distance) P-C4' energy: -107.174
flat angles C4'-P-C4' energy: -93.020
flat angles P-C4'-P energy: -62.036
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1186.924453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.924453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.924453 (E_RNA)
where:
Base-Base interactions energy: -809.608
where: short stacking energy: -341.074
Base-Backbone interact. energy: 2.107
local terms energy: -379.423835
where:
bonds (distance) C4'-P energy: -72.197
bonds (distance) P-C4' energy: -86.568
flat angles C4'-P-C4' energy: -94.820
flat angles P-C4'-P energy: -57.454
tors. eta vs tors. theta energy: -68.385
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: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -876.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.032886 (E_RNA)
where:
Base-Base interactions energy: -539.481
where: short stacking energy: -255.609
Base-Backbone interact. energy: -4.884
local terms energy: -331.668403
where:
bonds (distance) C4'-P energy: -70.352
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -96.245
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -29.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1925.424056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.424056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.424056 (E_RNA)
where:
Base-Base interactions energy: -1343.145
where: short stacking energy: -569.917
Base-Backbone interact. energy: 3.320
local terms energy: -585.599082
where:
bonds (distance) C4'-P energy: -107.987
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -119.729
flat angles P-C4'-P energy: -84.458
tors. eta vs tors. theta energy: -162.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1844.387371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.387371 (E_RNA)
where:
Base-Base interactions energy: -1279.805
where: short stacking energy: -539.342
Base-Backbone interact. energy: -3.830
local terms energy: -560.751527
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -105.011
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -78.939
tors. eta vs tors. theta energy: -143.686
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: 91
Temperature: 1.000000
Total energy: -1757.685361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.685361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.685361 (E_RNA)
where:
Base-Base interactions energy: -1231.343
where: short stacking energy: -484.416
Base-Backbone interact. energy: -0.672
local terms energy: -525.670463
where:
bonds (distance) C4'-P energy: -84.128
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -126.158
flat angles P-C4'-P energy: -66.106
tors. eta vs tors. theta energy: -135.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1722.467947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.467947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.467947 (E_RNA)
where:
Base-Base interactions energy: -1235.252
where: short stacking energy: -488.175
Base-Backbone interact. energy: 1.747
local terms energy: -488.963153
where:
bonds (distance) C4'-P energy: -88.515
bonds (distance) P-C4' energy: -93.058
flat angles C4'-P-C4' energy: -109.024
flat angles P-C4'-P energy: -70.461
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1606.666565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.666565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.666565 (E_RNA)
where:
Base-Base interactions energy: -1122.891
where: short stacking energy: -469.166
Base-Backbone interact. energy: 2.186
local terms energy: -485.961531
where:
bonds (distance) C4'-P energy: -84.808
bonds (distance) P-C4' energy: -89.389
flat angles C4'-P-C4' energy: -125.100
flat angles P-C4'-P energy: -72.282
tors. eta vs tors. theta energy: -114.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1614.740970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.740970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.740970 (E_RNA)
where:
Base-Base interactions energy: -1118.765
where: short stacking energy: -472.205
Base-Backbone interact. energy: -3.220
local terms energy: -492.756665
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -95.315
flat angles C4'-P-C4' energy: -112.063
flat angles P-C4'-P energy: -78.380
tors. eta vs tors. theta energy: -133.872
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: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1483.594047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.594047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.594047 (E_RNA)
where:
Base-Base interactions energy: -1047.462
where: short stacking energy: -442.648
Base-Backbone interact. energy: 4.995
local terms energy: -441.126790
where:
bonds (distance) C4'-P energy: -89.446
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -98.870
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -104.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1364.561023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.561023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.561023 (E_RNA)
where:
Base-Base interactions energy: -941.992
where: short stacking energy: -400.074
Base-Backbone interact. energy: -0.786
local terms energy: -421.782850
where:
bonds (distance) C4'-P energy: -79.953
bonds (distance) P-C4' energy: -79.496
flat angles C4'-P-C4' energy: -105.525
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -101.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1161.212261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.212261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.212261 (E_RNA)
where:
Base-Base interactions energy: -794.828
where: short stacking energy: -347.118
Base-Backbone interact. energy: 1.520
local terms energy: -367.904135
where:
bonds (distance) C4'-P energy: -75.420
bonds (distance) P-C4' energy: -83.438
flat angles C4'-P-C4' energy: -77.379
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -70.466
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: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -820.917424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.917424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.917424 (E_RNA)
where:
Base-Base interactions energy: -505.366
where: short stacking energy: -221.763
Base-Backbone interact. energy: -2.508
local terms energy: -313.043317
where:
bonds (distance) C4'-P energy: -92.771
bonds (distance) P-C4' energy: -86.757
flat angles C4'-P-C4' energy: -75.605
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -19.807
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: 92
Temperature: 0.900000
Total energy: -1909.615421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.615421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.615421 (E_RNA)
where:
Base-Base interactions energy: -1338.309
where: short stacking energy: -571.761
Base-Backbone interact. energy: -2.481
local terms energy: -568.825803
where:
bonds (distance) C4'-P energy: -92.817
bonds (distance) P-C4' energy: -99.661
flat angles C4'-P-C4' energy: -126.144
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -159.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1831.713301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.713301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.713301 (E_RNA)
where:
Base-Base interactions energy: -1286.542
where: short stacking energy: -525.049
Base-Backbone interact. energy: 0.675
local terms energy: -545.845862
where:
bonds (distance) C4'-P energy: -96.325
bonds (distance) P-C4' energy: -107.397
flat angles C4'-P-C4' energy: -127.135
flat angles P-C4'-P energy: -74.144
tors. eta vs tors. theta energy: -140.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1776.962958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.962958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.962958 (E_RNA)
where:
Base-Base interactions energy: -1233.973
where: short stacking energy: -501.678
Base-Backbone interact. energy: -1.476
local terms energy: -541.513527
where:
bonds (distance) C4'-P energy: -96.571
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -122.405
flat angles P-C4'-P energy: -81.305
tors. eta vs tors. theta energy: -138.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1718.534859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.534859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.534859 (E_RNA)
where:
Base-Base interactions energy: -1212.504
where: short stacking energy: -517.066
Base-Backbone interact. energy: 6.794
local terms energy: -512.824819
where:
bonds (distance) C4'-P energy: -89.712
bonds (distance) P-C4' energy: -104.264
flat angles C4'-P-C4' energy: -114.474
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -138.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1618.979842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.979842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.979842 (E_RNA)
where:
Base-Base interactions energy: -1116.225
where: short stacking energy: -467.161
Base-Backbone interact. energy: 4.500
local terms energy: -507.254883
where:
bonds (distance) C4'-P energy: -100.337
bonds (distance) P-C4' energy: -115.561
flat angles C4'-P-C4' energy: -115.484
flat angles P-C4'-P energy: -55.630
tors. eta vs tors. theta energy: -120.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1610.840858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.840858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.840858 (E_RNA)
where:
Base-Base interactions energy: -1119.489
where: short stacking energy: -459.748
Base-Backbone interact. energy: 4.408
local terms energy: -495.760154
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -100.220
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -122.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1442.087948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.087948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.087948 (E_RNA)
where:
Base-Base interactions energy: -1013.349
where: short stacking energy: -435.870
Base-Backbone interact. energy: -3.389
local terms energy: -425.350214
where:
bonds (distance) C4'-P energy: -73.312
bonds (distance) P-C4' energy: -76.968
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -56.523
tors. eta vs tors. theta energy: -107.624
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: 92
Temperature: 1.250000
Total energy: -1352.085978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.085978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.085978 (E_RNA)
where:
Base-Base interactions energy: -951.272
where: short stacking energy: -368.660
Base-Backbone interact. energy: -2.373
local terms energy: -398.441112
where:
bonds (distance) C4'-P energy: -66.214
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -91.077
flat angles P-C4'-P energy: -58.945
tors. eta vs tors. theta energy: -86.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1149.659462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.659462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.659462 (E_RNA)
where:
Base-Base interactions energy: -759.007
where: short stacking energy: -337.421
Base-Backbone interact. energy: 5.363
local terms energy: -396.014755
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -95.453
flat angles C4'-P-C4' energy: -89.691
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -68.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -833.935749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.935749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.935749 (E_RNA)
where:
Base-Base interactions energy: -531.492
where: short stacking energy: -240.289
Base-Backbone interact. energy: 2.540
local terms energy: -304.983464
where:
bonds (distance) C4'-P energy: -76.639
bonds (distance) P-C4' energy: -83.608
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -18.518
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: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1951.313592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.313592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.313592 (E_RNA)
where:
Base-Base interactions energy: -1356.070
where: short stacking energy: -587.373
Base-Backbone interact. energy: -0.008
local terms energy: -595.236424
where:
bonds (distance) C4'-P energy: -105.243
bonds (distance) P-C4' energy: -108.575
flat angles C4'-P-C4' energy: -131.821
flat angles P-C4'-P energy: -85.075
tors. eta vs tors. theta energy: -164.523
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1821.509242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.509242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.509242 (E_RNA)
where:
Base-Base interactions energy: -1266.589
where: short stacking energy: -516.520
Base-Backbone interact. energy: -0.540
local terms energy: -554.380090
where:
bonds (distance) C4'-P energy: -103.601
bonds (distance) P-C4' energy: -119.746
flat angles C4'-P-C4' energy: -119.924
flat angles P-C4'-P energy: -65.993
tors. eta vs tors. theta energy: -145.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1758.265122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.265122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.265122 (E_RNA)
where:
Base-Base interactions energy: -1245.096
where: short stacking energy: -511.355
Base-Backbone interact. energy: -4.306
local terms energy: -508.863115
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -105.677
flat angles P-C4'-P energy: -66.691
tors. eta vs tors. theta energy: -131.218
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: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1707.616563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.616563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.616563 (E_RNA)
where:
Base-Base interactions energy: -1195.423
where: short stacking energy: -509.464
Base-Backbone interact. energy: -2.852
local terms energy: -509.342129
where:
bonds (distance) C4'-P energy: -88.179
bonds (distance) P-C4' energy: -91.746
flat angles C4'-P-C4' energy: -110.100
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -142.809
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1643.564999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.564999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.564999 (E_RNA)
where:
Base-Base interactions energy: -1144.348
where: short stacking energy: -476.185
Base-Backbone interact. energy: 1.802
local terms energy: -501.019340
where:
bonds (distance) C4'-P energy: -94.996
bonds (distance) P-C4' energy: -93.656
flat angles C4'-P-C4' energy: -108.908
flat angles P-C4'-P energy: -78.368
tors. eta vs tors. theta energy: -125.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1604.095963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.095963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.095963 (E_RNA)
where:
Base-Base interactions energy: -1099.420
where: short stacking energy: -434.224
Base-Backbone interact. energy: 4.069
local terms energy: -508.744724
where:
bonds (distance) C4'-P energy: -101.584
bonds (distance) P-C4' energy: -108.548
flat angles C4'-P-C4' energy: -115.538
flat angles P-C4'-P energy: -70.272
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1465.938063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.938063 (E_RNA)
where:
Base-Base interactions energy: -1025.657
where: short stacking energy: -419.046
Base-Backbone interact. energy: -3.742
local terms energy: -436.539416
where:
bonds (distance) C4'-P energy: -81.552
bonds (distance) P-C4' energy: -91.441
flat angles C4'-P-C4' energy: -98.410
flat angles P-C4'-P energy: -65.674
tors. eta vs tors. theta energy: -99.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1309.822292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.822292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.822292 (E_RNA)
where:
Base-Base interactions energy: -888.962
where: short stacking energy: -376.161
Base-Backbone interact. energy: -1.456
local terms energy: -419.403735
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -93.987
flat angles C4'-P-C4' energy: -100.179
flat angles P-C4'-P energy: -67.241
tors. eta vs tors. theta energy: -85.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1153.708138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.708138 (E_RNA)
where:
Base-Base interactions energy: -770.950
where: short stacking energy: -326.243
Base-Backbone interact. energy: -1.231
local terms energy: -381.526750
where:
bonds (distance) C4'-P energy: -92.553
bonds (distance) P-C4' energy: -97.029
flat angles C4'-P-C4' energy: -79.821
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -62.193
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: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -847.674463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.674463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.674463 (E_RNA)
where:
Base-Base interactions energy: -534.230
where: short stacking energy: -256.321
Base-Backbone interact. energy: -0.513
local terms energy: -312.930851
where:
bonds (distance) C4'-P energy: -67.293
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -66.187
flat angles P-C4'-P energy: -54.102
tors. eta vs tors. theta energy: -31.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1938.431681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.431681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.431681 (E_RNA)
where:
Base-Base interactions energy: -1357.898
where: short stacking energy: -564.901
Base-Backbone interact. energy: 0.262
local terms energy: -580.794902
where:
bonds (distance) C4'-P energy: -95.473
bonds (distance) P-C4' energy: -106.148
flat angles C4'-P-C4' energy: -127.842
flat angles P-C4'-P energy: -90.899
tors. eta vs tors. theta energy: -160.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1869.324254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.324254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.324254 (E_RNA)
where:
Base-Base interactions energy: -1297.530
where: short stacking energy: -549.358
Base-Backbone interact. energy: -2.912
local terms energy: -568.882166
where:
bonds (distance) C4'-P energy: -99.045
bonds (distance) P-C4' energy: -118.161
flat angles C4'-P-C4' energy: -117.418
flat angles P-C4'-P energy: -82.197
tors. eta vs tors. theta energy: -152.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1766.602317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.602317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.602317 (E_RNA)
where:
Base-Base interactions energy: -1209.696
where: short stacking energy: -502.069
Base-Backbone interact. energy: -3.852
local terms energy: -553.054227
where:
bonds (distance) C4'-P energy: -110.032
bonds (distance) P-C4' energy: -106.979
flat angles C4'-P-C4' energy: -115.973
flat angles P-C4'-P energy: -87.400
tors. eta vs tors. theta energy: -132.671
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: 94
Temperature: 1.050000
Total energy: -1695.043690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.043690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.043690 (E_RNA)
where:
Base-Base interactions energy: -1166.209
where: short stacking energy: -491.036
Base-Backbone interact. energy: 0.913
local terms energy: -529.747349
where:
bonds (distance) C4'-P energy: -92.956
bonds (distance) P-C4' energy: -105.804
flat angles C4'-P-C4' energy: -120.344
flat angles P-C4'-P energy: -69.920
tors. eta vs tors. theta energy: -140.723
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1667.230519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.230519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.230519 (E_RNA)
where:
Base-Base interactions energy: -1177.629
where: short stacking energy: -474.321
Base-Backbone interact. energy: 3.573
local terms energy: -493.174475
where:
bonds (distance) C4'-P energy: -96.059
bonds (distance) P-C4' energy: -96.277
flat angles C4'-P-C4' energy: -105.736
flat angles P-C4'-P energy: -74.080
tors. eta vs tors. theta energy: -121.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1583.829839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.829839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.829839 (E_RNA)
where:
Base-Base interactions energy: -1097.198
where: short stacking energy: -443.661
Base-Backbone interact. energy: -0.875
local terms energy: -485.756816
where:
bonds (distance) C4'-P energy: -91.599
bonds (distance) P-C4' energy: -98.482
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -76.573
tors. eta vs tors. theta energy: -113.662
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1450.921640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.921640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.921640 (E_RNA)
where:
Base-Base interactions energy: -997.221
where: short stacking energy: -428.134
Base-Backbone interact. energy: -0.041
local terms energy: -453.659117
where:
bonds (distance) C4'-P energy: -81.887
bonds (distance) P-C4' energy: -95.247
flat angles C4'-P-C4' energy: -105.759
flat angles P-C4'-P energy: -64.704
tors. eta vs tors. theta energy: -106.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1314.591994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.591994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.591994 (E_RNA)
where:
Base-Base interactions energy: -903.912
where: short stacking energy: -380.940
Base-Backbone interact. energy: -0.456
local terms energy: -410.224145
where:
bonds (distance) C4'-P energy: -86.528
bonds (distance) P-C4' energy: -90.256
flat angles C4'-P-C4' energy: -88.016
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -79.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1126.133483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.133483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.133483 (E_RNA)
where:
Base-Base interactions energy: -759.803
where: short stacking energy: -318.607
Base-Backbone interact. energy: -1.804
local terms energy: -364.526858
where:
bonds (distance) C4'-P energy: -76.587
bonds (distance) P-C4' energy: -82.357
flat angles C4'-P-C4' energy: -88.400
flat angles P-C4'-P energy: -55.305
tors. eta vs tors. theta energy: -61.877
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: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -812.904122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.904122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.904122 (E_RNA)
where:
Base-Base interactions energy: -475.461
where: short stacking energy: -221.136
Base-Backbone interact. energy: -2.943
local terms energy: -334.499973
where:
bonds (distance) C4'-P energy: -87.005
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -82.223
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: -18.229
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: 95
Temperature: 0.900000
Total energy: -1930.615062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.615062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.615062 (E_RNA)
where:
Base-Base interactions energy: -1350.350
where: short stacking energy: -552.069
Base-Backbone interact. energy: -4.078
local terms energy: -576.186588
where:
bonds (distance) C4'-P energy: -105.152
bonds (distance) P-C4' energy: -108.751
flat angles C4'-P-C4' energy: -124.566
flat angles P-C4'-P energy: -84.493
tors. eta vs tors. theta energy: -153.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1844.074900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.074900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.074900 (E_RNA)
where:
Base-Base interactions energy: -1291.881
where: short stacking energy: -549.830
Base-Backbone interact. energy: -1.861
local terms energy: -550.333094
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -94.944
flat angles C4'-P-C4' energy: -123.214
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: -141.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1811.611545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.611545 (E_RNA)
where:
Base-Base interactions energy: -1283.308
where: short stacking energy: -545.493
Base-Backbone interact. energy: -1.460
local terms energy: -526.842885
where:
bonds (distance) C4'-P energy: -83.449
bonds (distance) P-C4' energy: -97.504
flat angles C4'-P-C4' energy: -118.435
flat angles P-C4'-P energy: -81.238
tors. eta vs tors. theta energy: -146.218
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1703.484377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.484377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.484377 (E_RNA)
where:
Base-Base interactions energy: -1174.642
where: short stacking energy: -494.630
Base-Backbone interact. energy: -0.775
local terms energy: -528.067300
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -114.622
flat angles P-C4'-P energy: -78.369
tors. eta vs tors. theta energy: -137.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1685.662412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.662412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.662412 (E_RNA)
where:
Base-Base interactions energy: -1154.900
where: short stacking energy: -480.270
Base-Backbone interact. energy: 0.217
local terms energy: -530.979338
where:
bonds (distance) C4'-P energy: -94.081
bonds (distance) P-C4' energy: -106.145
flat angles C4'-P-C4' energy: -122.642
flat angles P-C4'-P energy: -79.163
tors. eta vs tors. theta energy: -128.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1582.637724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.637724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.637724 (E_RNA)
where:
Base-Base interactions energy: -1110.665
where: short stacking energy: -456.764
Base-Backbone interact. energy: -1.792
local terms energy: -470.180411
where:
bonds (distance) C4'-P energy: -93.881
bonds (distance) P-C4' energy: -91.698
flat angles C4'-P-C4' energy: -108.222
flat angles P-C4'-P energy: -65.893
tors. eta vs tors. theta energy: -110.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1424.793094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.793094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.793094 (E_RNA)
where:
Base-Base interactions energy: -1000.977
where: short stacking energy: -431.970
Base-Backbone interact. energy: -1.716
local terms energy: -422.099957
where:
bonds (distance) C4'-P energy: -71.360
bonds (distance) P-C4' energy: -87.208
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -63.585
tors. eta vs tors. theta energy: -113.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1325.700322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.700322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.700322 (E_RNA)
where:
Base-Base interactions energy: -877.764
where: short stacking energy: -390.961
Base-Backbone interact. energy: -2.639
local terms energy: -445.297681
where:
bonds (distance) C4'-P energy: -99.471
bonds (distance) P-C4' energy: -103.686
flat angles C4'-P-C4' energy: -85.949
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: -99.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1158.700419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.700419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.700419 (E_RNA)
where:
Base-Base interactions energy: -766.341
where: short stacking energy: -330.282
Base-Backbone interact. energy: -2.248
local terms energy: -390.112011
where:
bonds (distance) C4'-P energy: -87.472
bonds (distance) P-C4' energy: -92.561
flat angles C4'-P-C4' energy: -81.994
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -70.154
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: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -833.625251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.625251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.625251 (E_RNA)
where:
Base-Base interactions energy: -537.154
where: short stacking energy: -240.813
Base-Backbone interact. energy: -1.338
local terms energy: -295.133993
where:
bonds (distance) C4'-P energy: -82.985
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -72.874
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -14.545
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: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1943.030853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.030853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.030853 (E_RNA)
where:
Base-Base interactions energy: -1365.241
where: short stacking energy: -563.773
Base-Backbone interact. energy: -2.970
local terms energy: -574.820111
where:
bonds (distance) C4'-P energy: -94.259
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -120.274
flat angles P-C4'-P energy: -97.221
tors. eta vs tors. theta energy: -161.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1836.517567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.517567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.517567 (E_RNA)
where:
Base-Base interactions energy: -1257.658
where: short stacking energy: -541.316
Base-Backbone interact. energy: -1.666
local terms energy: -577.193287
where:
bonds (distance) C4'-P energy: -102.166
bonds (distance) P-C4' energy: -111.491
flat angles C4'-P-C4' energy: -122.692
flat angles P-C4'-P energy: -86.448
tors. eta vs tors. theta energy: -154.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1790.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.203805 (E_RNA)
where:
Base-Base interactions energy: -1272.381
where: short stacking energy: -513.865
Base-Backbone interact. energy: 3.115
local terms energy: -520.937503
where:
bonds (distance) C4'-P energy: -107.160
bonds (distance) P-C4' energy: -95.687
flat angles C4'-P-C4' energy: -108.855
flat angles P-C4'-P energy: -68.890
tors. eta vs tors. theta energy: -140.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1704.990984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.990984 (E_RNA)
where:
Base-Base interactions energy: -1157.123
where: short stacking energy: -499.992
Base-Backbone interact. energy: -0.560
local terms energy: -547.308774
where:
bonds (distance) C4'-P energy: -95.053
bonds (distance) P-C4' energy: -109.341
flat angles C4'-P-C4' energy: -118.196
flat angles P-C4'-P energy: -85.141
tors. eta vs tors. theta energy: -139.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1627.150553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.150553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.150553 (E_RNA)
where:
Base-Base interactions energy: -1164.937
where: short stacking energy: -505.095
Base-Backbone interact. energy: -0.116
local terms energy: -462.097197
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -95.521
flat angles C4'-P-C4' energy: -98.580
flat angles P-C4'-P energy: -68.200
tors. eta vs tors. theta energy: -125.199
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1604.912543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.912543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.912543 (E_RNA)
where:
Base-Base interactions energy: -1121.846
where: short stacking energy: -443.433
Base-Backbone interact. energy: -2.459
local terms energy: -480.607555
where:
bonds (distance) C4'-P energy: -89.886
bonds (distance) P-C4' energy: -81.504
flat angles C4'-P-C4' energy: -122.943
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -118.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1446.553030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.553030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.553030 (E_RNA)
where:
Base-Base interactions energy: -994.413
where: short stacking energy: -425.497
Base-Backbone interact. energy: 2.663
local terms energy: -454.802916
where:
bonds (distance) C4'-P energy: -77.848
bonds (distance) P-C4' energy: -98.777
flat angles C4'-P-C4' energy: -102.458
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -106.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1316.294691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.294691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.294691 (E_RNA)
where:
Base-Base interactions energy: -916.136
where: short stacking energy: -368.854
Base-Backbone interact. energy: 5.104
local terms energy: -405.262835
where:
bonds (distance) C4'-P energy: -77.486
bonds (distance) P-C4' energy: -89.555
flat angles C4'-P-C4' energy: -92.828
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -84.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1137.539275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.539275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.539275 (E_RNA)
where:
Base-Base interactions energy: -793.179
where: short stacking energy: -329.135
Base-Backbone interact. energy: -2.374
local terms energy: -341.986228
where:
bonds (distance) C4'-P energy: -67.599
bonds (distance) P-C4' energy: -92.738
flat angles C4'-P-C4' energy: -77.920
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -56.872
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: 96
Temperature: 1.350000
Total energy: -829.128237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.128237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.128237 (E_RNA)
where:
Base-Base interactions energy: -490.409
where: short stacking energy: -239.248
Base-Backbone interact. energy: -1.333
local terms energy: -337.386462
where:
bonds (distance) C4'-P energy: -100.097
bonds (distance) P-C4' energy: -81.784
flat angles C4'-P-C4' energy: -85.127
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -27.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1947.441746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.441746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.441746 (E_RNA)
where:
Base-Base interactions energy: -1345.027
where: short stacking energy: -563.098
Base-Backbone interact. energy: -2.027
local terms energy: -600.387500
where:
bonds (distance) C4'-P energy: -107.591
bonds (distance) P-C4' energy: -110.790
flat angles C4'-P-C4' energy: -127.508
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -167.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1831.230402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.230402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.230402 (E_RNA)
where:
Base-Base interactions energy: -1276.345
where: short stacking energy: -542.541
Base-Backbone interact. energy: -0.946
local terms energy: -553.939377
where:
bonds (distance) C4'-P energy: -104.894
bonds (distance) P-C4' energy: -108.284
flat angles C4'-P-C4' energy: -115.626
flat angles P-C4'-P energy: -77.786
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1741.594648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.594648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.594648 (E_RNA)
where:
Base-Base interactions energy: -1222.632
where: short stacking energy: -508.364
Base-Backbone interact. energy: -3.964
local terms energy: -514.999246
where:
bonds (distance) C4'-P energy: -89.711
bonds (distance) P-C4' energy: -91.590
flat angles C4'-P-C4' energy: -115.796
flat angles P-C4'-P energy: -85.060
tors. eta vs tors. theta energy: -132.843
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: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1706.528113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.528113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.528113 (E_RNA)
where:
Base-Base interactions energy: -1191.505
where: short stacking energy: -526.253
Base-Backbone interact. energy: -0.040
local terms energy: -514.983106
where:
bonds (distance) C4'-P energy: -71.371
bonds (distance) P-C4' energy: -102.328
flat angles C4'-P-C4' energy: -115.532
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -151.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1628.286747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.286747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.286747 (E_RNA)
where:
Base-Base interactions energy: -1113.835
where: short stacking energy: -467.692
Base-Backbone interact. energy: -1.897
local terms energy: -512.555472
where:
bonds (distance) C4'-P energy: -95.175
bonds (distance) P-C4' energy: -111.702
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -60.559
tors. eta vs tors. theta energy: -134.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1570.623939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.623939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.623939 (E_RNA)
where:
Base-Base interactions energy: -1094.745
where: short stacking energy: -458.325
Base-Backbone interact. energy: 5.119
local terms energy: -480.997418
where:
bonds (distance) C4'-P energy: -84.443
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -109.142
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -118.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1431.381397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.381397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.381397 (E_RNA)
where:
Base-Base interactions energy: -977.444
where: short stacking energy: -403.864
Base-Backbone interact. energy: 2.113
local terms energy: -456.050655
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -85.419
flat angles C4'-P-C4' energy: -111.040
flat angles P-C4'-P energy: -60.759
tors. eta vs tors. theta energy: -94.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1316.435966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.435966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.435966 (E_RNA)
where:
Base-Base interactions energy: -886.187
where: short stacking energy: -391.076
Base-Backbone interact. energy: -0.904
local terms energy: -429.344904
where:
bonds (distance) C4'-P energy: -82.445
bonds (distance) P-C4' energy: -89.417
flat angles C4'-P-C4' energy: -94.399
flat angles P-C4'-P energy: -65.775
tors. eta vs tors. theta energy: -97.308
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: 97
Temperature: 1.300000
Total energy: -1183.610128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.610128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.610128 (E_RNA)
where:
Base-Base interactions energy: -797.762
where: short stacking energy: -328.350
Base-Backbone interact. energy: -0.803
local terms energy: -385.045112
where:
bonds (distance) C4'-P energy: -79.034
bonds (distance) P-C4' energy: -92.163
flat angles C4'-P-C4' energy: -95.432
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -58.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -799.922188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.922188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.922188 (E_RNA)
where:
Base-Base interactions energy: -480.882
where: short stacking energy: -230.069
Base-Backbone interact. energy: -1.500
local terms energy: -317.540636
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -83.851
flat angles C4'-P-C4' energy: -77.718
flat angles P-C4'-P energy: -50.039
tors. eta vs tors. theta energy: -22.460
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: 98
Temperature: 0.900000
Total energy: -1937.567235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.567235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.567235 (E_RNA)
where:
Base-Base interactions energy: -1344.023
where: short stacking energy: -556.674
Base-Backbone interact. energy: -3.919
local terms energy: -589.625382
where:
bonds (distance) C4'-P energy: -111.304
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -116.701
flat angles P-C4'-P energy: -89.155
tors. eta vs tors. theta energy: -158.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1797.397562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.397562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.397562 (E_RNA)
where:
Base-Base interactions energy: -1258.450
where: short stacking energy: -517.572
Base-Backbone interact. energy: 2.014
local terms energy: -540.962312
where:
bonds (distance) C4'-P energy: -105.871
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -78.794
tors. eta vs tors. theta energy: -135.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1725.482719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.482719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.482719 (E_RNA)
where:
Base-Base interactions energy: -1200.366
where: short stacking energy: -515.892
Base-Backbone interact. energy: 0.505
local terms energy: -525.621199
where:
bonds (distance) C4'-P energy: -98.112
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -105.856
flat angles P-C4'-P energy: -77.866
tors. eta vs tors. theta energy: -142.525
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1689.967857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.967857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.967857 (E_RNA)
where:
Base-Base interactions energy: -1171.297
where: short stacking energy: -493.670
Base-Backbone interact. energy: -2.492
local terms energy: -516.178932
where:
bonds (distance) C4'-P energy: -99.714
bonds (distance) P-C4' energy: -106.211
flat angles C4'-P-C4' energy: -108.082
flat angles P-C4'-P energy: -78.192
tors. eta vs tors. theta energy: -123.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1577.920053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.920053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.920053 (E_RNA)
where:
Base-Base interactions energy: -1100.008
where: short stacking energy: -455.380
Base-Backbone interact. energy: -1.055
local terms energy: -476.856804
where:
bonds (distance) C4'-P energy: -101.520
bonds (distance) P-C4' energy: -92.301
flat angles C4'-P-C4' energy: -101.935
flat angles P-C4'-P energy: -64.591
tors. eta vs tors. theta energy: -116.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1600.958650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.958650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.958650 (E_RNA)
where:
Base-Base interactions energy: -1109.363
where: short stacking energy: -451.190
Base-Backbone interact. energy: 6.018
local terms energy: -497.613695
where:
bonds (distance) C4'-P energy: -101.421
bonds (distance) P-C4' energy: -107.375
flat angles C4'-P-C4' energy: -100.397
flat angles P-C4'-P energy: -71.924
tors. eta vs tors. theta energy: -116.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1390.771525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.771525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.771525 (E_RNA)
where:
Base-Base interactions energy: -936.980
where: short stacking energy: -373.050
Base-Backbone interact. energy: 0.041
local terms energy: -453.832320
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -111.632
flat angles P-C4'-P energy: -77.230
tors. eta vs tors. theta energy: -77.751
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1302.360637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.360637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.360637 (E_RNA)
where:
Base-Base interactions energy: -893.545
where: short stacking energy: -369.284
Base-Backbone interact. energy: -2.596
local terms energy: -406.219457
where:
bonds (distance) C4'-P energy: -104.166
bonds (distance) P-C4' energy: -87.117
flat angles C4'-P-C4' energy: -88.178
flat angles P-C4'-P energy: -54.831
tors. eta vs tors. theta energy: -71.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1213.249024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.249024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.249024 (E_RNA)
where:
Base-Base interactions energy: -799.767
where: short stacking energy: -354.450
Base-Backbone interact. energy: 1.760
local terms energy: -415.241857
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -105.578
flat angles C4'-P-C4' energy: -81.749
flat angles P-C4'-P energy: -57.067
tors. eta vs tors. theta energy: -78.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -794.811476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.811476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.811476 (E_RNA)
where:
Base-Base interactions energy: -469.328
where: short stacking energy: -215.804
Base-Backbone interact. energy: 0.002
local terms energy: -325.485907
where:
bonds (distance) C4'-P energy: -65.994
bonds (distance) P-C4' energy: -94.709
flat angles C4'-P-C4' energy: -76.265
flat angles P-C4'-P energy: -69.247
tors. eta vs tors. theta energy: -19.270
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: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1932.796587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.796587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.796587 (E_RNA)
where:
Base-Base interactions energy: -1352.713
where: short stacking energy: -569.109
Base-Backbone interact. energy: -2.144
local terms energy: -577.938987
where:
bonds (distance) C4'-P energy: -109.900
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -124.906
flat angles P-C4'-P energy: -71.152
tors. eta vs tors. theta energy: -163.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1831.561065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.561065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.561065 (E_RNA)
where:
Base-Base interactions energy: -1263.324
where: short stacking energy: -554.371
Base-Backbone interact. energy: -0.682
local terms energy: -567.555076
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -109.146
flat angles C4'-P-C4' energy: -129.484
flat angles P-C4'-P energy: -71.989
tors. eta vs tors. theta energy: -157.747
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: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1766.878152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.878152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.878152 (E_RNA)
where:
Base-Base interactions energy: -1226.107
where: short stacking energy: -506.468
Base-Backbone interact. energy: -0.711
local terms energy: -540.060020
where:
bonds (distance) C4'-P energy: -91.365
bonds (distance) P-C4' energy: -113.203
flat angles C4'-P-C4' energy: -120.119
flat angles P-C4'-P energy: -84.375
tors. eta vs tors. theta energy: -130.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1707.814299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.814299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.814299 (E_RNA)
where:
Base-Base interactions energy: -1195.121
where: short stacking energy: -503.809
Base-Backbone interact. energy: 3.203
local terms energy: -515.897148
where:
bonds (distance) C4'-P energy: -101.452
bonds (distance) P-C4' energy: -86.683
flat angles C4'-P-C4' energy: -119.237
flat angles P-C4'-P energy: -76.738
tors. eta vs tors. theta energy: -131.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1619.784601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.784601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.784601 (E_RNA)
where:
Base-Base interactions energy: -1123.867
where: short stacking energy: -471.089
Base-Backbone interact. energy: -2.733
local terms energy: -493.184310
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -100.762
flat angles C4'-P-C4' energy: -104.805
flat angles P-C4'-P energy: -64.518
tors. eta vs tors. theta energy: -128.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1611.722581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.722581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.722581 (E_RNA)
where:
Base-Base interactions energy: -1106.376
where: short stacking energy: -469.376
Base-Backbone interact. energy: 3.359
local terms energy: -508.705463
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -95.377
flat angles C4'-P-C4' energy: -115.895
flat angles P-C4'-P energy: -65.363
tors. eta vs tors. theta energy: -134.624
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: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1435.400169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.400169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.400169 (E_RNA)
where:
Base-Base interactions energy: -978.959
where: short stacking energy: -409.913
Base-Backbone interact. energy: 0.017
local terms energy: -456.457527
where:
bonds (distance) C4'-P energy: -98.082
bonds (distance) P-C4' energy: -93.872
flat angles C4'-P-C4' energy: -99.892
flat angles P-C4'-P energy: -69.603
tors. eta vs tors. theta energy: -95.009
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: 99
Temperature: 1.250000
Total energy: -1307.855686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.855686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.855686 (E_RNA)
where:
Base-Base interactions energy: -912.847
where: short stacking energy: -393.187
Base-Backbone interact. energy: 0.585
local terms energy: -395.593952
where:
bonds (distance) C4'-P energy: -66.657
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -96.108
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: -89.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1169.549615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.549615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.549615 (E_RNA)
where:
Base-Base interactions energy: -753.460
where: short stacking energy: -311.566
Base-Backbone interact. energy: -2.762
local terms energy: -413.327854
where:
bonds (distance) C4'-P energy: -80.274
bonds (distance) P-C4' energy: -93.486
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -68.805
tors. eta vs tors. theta energy: -69.636
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: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -876.838657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.838657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.838657 (E_RNA)
where:
Base-Base interactions energy: -520.028
where: short stacking energy: -235.140
Base-Backbone interact. energy: -1.746
local terms energy: -355.063964
where:
bonds (distance) C4'-P energy: -99.304
bonds (distance) P-C4' energy: -99.437
flat angles C4'-P-C4' energy: -91.253
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -28.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1962.214218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.214218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.214218 (E_RNA)
where:
Base-Base interactions energy: -1372.550
where: short stacking energy: -566.277
Base-Backbone interact. energy: -3.444
local terms energy: -586.220127
where:
bonds (distance) C4'-P energy: -111.245
bonds (distance) P-C4' energy: -99.274
flat angles C4'-P-C4' energy: -128.507
flat angles P-C4'-P energy: -86.075
tors. eta vs tors. theta energy: -161.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1803.771527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.771527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.771527 (E_RNA)
where:
Base-Base interactions energy: -1263.577
where: short stacking energy: -536.065
Base-Backbone interact. energy: -1.927
local terms energy: -538.267378
where:
bonds (distance) C4'-P energy: -88.294
bonds (distance) P-C4' energy: -106.893
flat angles C4'-P-C4' energy: -124.416
flat angles P-C4'-P energy: -82.927
tors. eta vs tors. theta energy: -135.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1762.099798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.099798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.099798 (E_RNA)
where:
Base-Base interactions energy: -1223.506
where: short stacking energy: -516.398
Base-Backbone interact. energy: -3.072
local terms energy: -535.521226
where:
bonds (distance) C4'-P energy: -85.989
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -115.816
flat angles P-C4'-P energy: -74.511
tors. eta vs tors. theta energy: -150.251
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: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1743.001792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.001792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.001792 (E_RNA)
where:
Base-Base interactions energy: -1198.221
where: short stacking energy: -499.824
Base-Backbone interact. energy: 0.961
local terms energy: -545.741761
where:
bonds (distance) C4'-P energy: -112.401
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -124.970
flat angles P-C4'-P energy: -68.939
tors. eta vs tors. theta energy: -133.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1607.357536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.357536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.357536 (E_RNA)
where:
Base-Base interactions energy: -1108.417
where: short stacking energy: -465.201
Base-Backbone interact. energy: -4.192
local terms energy: -494.748988
where:
bonds (distance) C4'-P energy: -90.379
bonds (distance) P-C4' energy: -96.592
flat angles C4'-P-C4' energy: -102.776
flat angles P-C4'-P energy: -82.499
tors. eta vs tors. theta energy: -122.503
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1547.969723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.969723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.969723 (E_RNA)
where:
Base-Base interactions energy: -1092.490
where: short stacking energy: -442.995
Base-Backbone interact. energy: -2.295
local terms energy: -453.185028
where:
bonds (distance) C4'-P energy: -87.638
bonds (distance) P-C4' energy: -103.070
flat angles C4'-P-C4' energy: -95.960
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -112.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1434.990637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.990637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.990637 (E_RNA)
where:
Base-Base interactions energy: -997.862
where: short stacking energy: -422.309
Base-Backbone interact. energy: -1.080
local terms energy: -436.049294
where:
bonds (distance) C4'-P energy: -84.348
bonds (distance) P-C4' energy: -96.147
flat angles C4'-P-C4' energy: -106.552
flat angles P-C4'-P energy: -63.917
tors. eta vs tors. theta energy: -85.086
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: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1340.914614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.914614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.914614 (E_RNA)
where:
Base-Base interactions energy: -932.818
where: short stacking energy: -385.830
Base-Backbone interact. energy: 1.530
local terms energy: -409.627001
where:
bonds (distance) C4'-P energy: -57.169
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -101.811
flat angles P-C4'-P energy: -64.249
tors. eta vs tors. theta energy: -93.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1175.135739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.135739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.135739 (E_RNA)
where:
Base-Base interactions energy: -783.233
where: short stacking energy: -341.380
Base-Backbone interact. energy: -0.073
local terms energy: -391.829871
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -97.924
flat angles C4'-P-C4' energy: -83.027
flat angles P-C4'-P energy: -48.997
tors. eta vs tors. theta energy: -65.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -825.688379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.688379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.688379 (E_RNA)
where:
Base-Base interactions energy: -501.643
where: short stacking energy: -219.363
Base-Backbone interact. energy: 4.539
local terms energy: -328.584346
where:
bonds (distance) C4'-P energy: -77.380
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -83.279
flat angles P-C4'-P energy: -46.774
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1932.047682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.047682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.047682 (E_RNA)
where:
Base-Base interactions energy: -1344.216
where: short stacking energy: -571.094
Base-Backbone interact. energy: -4.681
local terms energy: -583.150796
where:
bonds (distance) C4'-P energy: -104.398
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -128.964
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -162.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1796.129178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.129178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.129178 (E_RNA)
where:
Base-Base interactions energy: -1244.880
where: short stacking energy: -524.444
Base-Backbone interact. energy: -3.249
local terms energy: -548.000264
where:
bonds (distance) C4'-P energy: -110.891
bonds (distance) P-C4' energy: -114.761
flat angles C4'-P-C4' energy: -109.998
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -138.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1790.387067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.387067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.387067 (E_RNA)
where:
Base-Base interactions energy: -1246.159
where: short stacking energy: -554.833
Base-Backbone interact. energy: -1.777
local terms energy: -542.451407
where:
bonds (distance) C4'-P energy: -89.911
bonds (distance) P-C4' energy: -107.016
flat angles C4'-P-C4' energy: -114.760
flat angles P-C4'-P energy: -70.856
tors. eta vs tors. theta energy: -159.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1728.082980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.082980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.082980 (E_RNA)
where:
Base-Base interactions energy: -1223.916
where: short stacking energy: -503.977
Base-Backbone interact. energy: -2.307
local terms energy: -501.860739
where:
bonds (distance) C4'-P energy: -93.907
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -107.192
flat angles P-C4'-P energy: -84.051
tors. eta vs tors. theta energy: -128.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1645.795460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.795460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.795460 (E_RNA)
where:
Base-Base interactions energy: -1162.098
where: short stacking energy: -484.188
Base-Backbone interact. energy: 2.036
local terms energy: -485.733268
where:
bonds (distance) C4'-P energy: -90.852
bonds (distance) P-C4' energy: -96.789
flat angles C4'-P-C4' energy: -107.271
flat angles P-C4'-P energy: -76.535
tors. eta vs tors. theta energy: -114.286
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: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1618.771734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.771734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.771734 (E_RNA)
where:
Base-Base interactions energy: -1111.489
where: short stacking energy: -446.564
Base-Backbone interact. energy: -3.434
local terms energy: -503.848517
where:
bonds (distance) C4'-P energy: -101.801
bonds (distance) P-C4' energy: -114.190
flat angles C4'-P-C4' energy: -105.518
flat angles P-C4'-P energy: -66.875
tors. eta vs tors. theta energy: -115.464
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1444.366156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.366156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.366156 (E_RNA)
where:
Base-Base interactions energy: -1013.779
where: short stacking energy: -433.689
Base-Backbone interact. energy: 0.262
local terms energy: -430.849446
where:
bonds (distance) C4'-P energy: -88.691
bonds (distance) P-C4' energy: -74.461
flat angles C4'-P-C4' energy: -104.494
flat angles P-C4'-P energy: -69.551
tors. eta vs tors. theta energy: -93.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1357.988940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.988940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.988940 (E_RNA)
where:
Base-Base interactions energy: -919.599
where: short stacking energy: -387.387
Base-Backbone interact. energy: 4.482
local terms energy: -442.872211
where:
bonds (distance) C4'-P energy: -92.079
bonds (distance) P-C4' energy: -109.363
flat angles C4'-P-C4' energy: -104.144
flat angles P-C4'-P energy: -52.780
tors. eta vs tors. theta energy: -84.507
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: 101
Temperature: 1.300000
Total energy: -1172.661842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.661842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.661842 (E_RNA)
where:
Base-Base interactions energy: -812.129
where: short stacking energy: -336.780
Base-Backbone interact. energy: -0.898
local terms energy: -359.635392
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -92.351
flat angles C4'-P-C4' energy: -99.483
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -63.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -784.287744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.287744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.287744 (E_RNA)
where:
Base-Base interactions energy: -469.974
where: short stacking energy: -222.505
Base-Backbone interact. energy: -1.432
local terms energy: -312.881215
where:
bonds (distance) C4'-P energy: -73.745
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1933.684420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.684420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.684420 (E_RNA)
where:
Base-Base interactions energy: -1357.230
where: short stacking energy: -586.975
Base-Backbone interact. energy: -2.883
local terms energy: -573.570876
where:
bonds (distance) C4'-P energy: -97.697
bonds (distance) P-C4' energy: -115.155
flat angles C4'-P-C4' energy: -130.222
flat angles P-C4'-P energy: -67.332
tors. eta vs tors. theta energy: -163.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1777.102920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.102920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.102920 (E_RNA)
where:
Base-Base interactions energy: -1227.105
where: short stacking energy: -511.114
Base-Backbone interact. energy: -1.658
local terms energy: -548.340254
where:
bonds (distance) C4'-P energy: -106.337
bonds (distance) P-C4' energy: -112.461
flat angles C4'-P-C4' energy: -117.758
flat angles P-C4'-P energy: -77.812
tors. eta vs tors. theta energy: -133.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1789.863826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.863826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.863826 (E_RNA)
where:
Base-Base interactions energy: -1243.048
where: short stacking energy: -524.260
Base-Backbone interact. energy: -5.219
local terms energy: -541.597679
where:
bonds (distance) C4'-P energy: -99.672
bonds (distance) P-C4' energy: -111.285
flat angles C4'-P-C4' energy: -113.504
flat angles P-C4'-P energy: -76.023
tors. eta vs tors. theta energy: -141.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1721.527323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.527323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.527323 (E_RNA)
where:
Base-Base interactions energy: -1181.688
where: short stacking energy: -487.864
Base-Backbone interact. energy: 0.300
local terms energy: -540.139780
where:
bonds (distance) C4'-P energy: -111.726
bonds (distance) P-C4' energy: -105.364
flat angles C4'-P-C4' energy: -121.870
flat angles P-C4'-P energy: -69.879
tors. eta vs tors. theta energy: -131.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1664.182119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.182119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.182119 (E_RNA)
where:
Base-Base interactions energy: -1137.934
where: short stacking energy: -469.878
Base-Backbone interact. energy: -2.130
local terms energy: -524.118023
where:
bonds (distance) C4'-P energy: -93.302
bonds (distance) P-C4' energy: -94.394
flat angles C4'-P-C4' energy: -119.221
flat angles P-C4'-P energy: -84.920
tors. eta vs tors. theta energy: -132.281
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1595.567836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.567836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.567836 (E_RNA)
where:
Base-Base interactions energy: -1116.007
where: short stacking energy: -473.822
Base-Backbone interact. energy: 3.092
local terms energy: -482.652459
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -85.184
flat angles C4'-P-C4' energy: -99.205
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -130.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1442.194269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.194269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.194269 (E_RNA)
where:
Base-Base interactions energy: -1022.854
where: short stacking energy: -431.388
Base-Backbone interact. energy: 2.346
local terms energy: -421.686725
where:
bonds (distance) C4'-P energy: -78.766
bonds (distance) P-C4' energy: -85.795
flat angles C4'-P-C4' energy: -87.453
flat angles P-C4'-P energy: -76.725
tors. eta vs tors. theta energy: -92.947
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: 102
Temperature: 1.250000
Total energy: -1329.901946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.901946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.901946 (E_RNA)
where:
Base-Base interactions energy: -913.898
where: short stacking energy: -382.822
Base-Backbone interact. energy: -1.660
local terms energy: -414.343537
where:
bonds (distance) C4'-P energy: -66.209
bonds (distance) P-C4' energy: -79.801
flat angles C4'-P-C4' energy: -106.720
flat angles P-C4'-P energy: -63.355
tors. eta vs tors. theta energy: -98.259
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1181.480428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.480428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.480428 (E_RNA)
where:
Base-Base interactions energy: -814.489
where: short stacking energy: -360.537
Base-Backbone interact. energy: 0.438
local terms energy: -367.428778
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -81.456
flat angles C4'-P-C4' energy: -94.700
flat angles P-C4'-P energy: -38.351
tors. eta vs tors. theta energy: -76.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -789.668168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.668168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.668168 (E_RNA)
where:
Base-Base interactions energy: -483.711
where: short stacking energy: -230.538
Base-Backbone interact. energy: 3.073
local terms energy: -309.029943
where:
bonds (distance) C4'-P energy: -80.029
bonds (distance) P-C4' energy: -84.831
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -50.658
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1936.719964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.719964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.719964 (E_RNA)
where:
Base-Base interactions energy: -1367.793
where: short stacking energy: -582.429
Base-Backbone interact. energy: -2.439
local terms energy: -566.488248
where:
bonds (distance) C4'-P energy: -104.731
bonds (distance) P-C4' energy: -98.868
flat angles C4'-P-C4' energy: -111.018
flat angles P-C4'-P energy: -76.965
tors. eta vs tors. theta energy: -174.905
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: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1838.574967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.574967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.574967 (E_RNA)
where:
Base-Base interactions energy: -1281.697
where: short stacking energy: -558.235
Base-Backbone interact. energy: -3.067
local terms energy: -553.811109
where:
bonds (distance) C4'-P energy: -101.096
bonds (distance) P-C4' energy: -105.142
flat angles C4'-P-C4' energy: -118.464
flat angles P-C4'-P energy: -80.330
tors. eta vs tors. theta energy: -148.780
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: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1743.921423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.921423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.921423 (E_RNA)
where:
Base-Base interactions energy: -1260.016
where: short stacking energy: -501.096
Base-Backbone interact. energy: -0.122
local terms energy: -483.783971
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -100.014
flat angles C4'-P-C4' energy: -97.087
flat angles P-C4'-P energy: -65.297
tors. eta vs tors. theta energy: -126.052
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: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1773.712851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.712851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.712851 (E_RNA)
where:
Base-Base interactions energy: -1254.330
where: short stacking energy: -510.599
Base-Backbone interact. energy: -2.299
local terms energy: -517.083679
where:
bonds (distance) C4'-P energy: -103.346
bonds (distance) P-C4' energy: -98.931
flat angles C4'-P-C4' energy: -112.802
flat angles P-C4'-P energy: -58.125
tors. eta vs tors. theta energy: -143.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1647.037918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.037918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.037918 (E_RNA)
where:
Base-Base interactions energy: -1139.708
where: short stacking energy: -489.146
Base-Backbone interact. energy: 1.338
local terms energy: -508.667433
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -109.764
flat angles P-C4'-P energy: -67.462
tors. eta vs tors. theta energy: -139.074
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: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1566.817767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.817767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.817767 (E_RNA)
where:
Base-Base interactions energy: -1092.577
where: short stacking energy: -447.235
Base-Backbone interact. energy: -1.636
local terms energy: -472.605123
where:
bonds (distance) C4'-P energy: -96.812
bonds (distance) P-C4' energy: -80.835
flat angles C4'-P-C4' energy: -104.680
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -130.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1463.160981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.160981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.160981 (E_RNA)
where:
Base-Base interactions energy: -1014.258
where: short stacking energy: -413.021
Base-Backbone interact. energy: -3.341
local terms energy: -445.561748
where:
bonds (distance) C4'-P energy: -86.031
bonds (distance) P-C4' energy: -107.187
flat angles C4'-P-C4' energy: -91.578
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: -98.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1311.408718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.408718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.408718 (E_RNA)
where:
Base-Base interactions energy: -909.990
where: short stacking energy: -379.786
Base-Backbone interact. energy: -1.235
local terms energy: -400.183434
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -86.323
flat angles C4'-P-C4' energy: -92.945
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -80.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1167.815560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.815560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.815560 (E_RNA)
where:
Base-Base interactions energy: -807.379
where: short stacking energy: -337.223
Base-Backbone interact. energy: 3.093
local terms energy: -363.529595
where:
bonds (distance) C4'-P energy: -82.268
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -85.697
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -52.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -732.999726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.999726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.999726 (E_RNA)
where:
Base-Base interactions energy: -434.091
where: short stacking energy: -206.166
Base-Backbone interact. energy: -1.074
local terms energy: -297.833912
where:
bonds (distance) C4'-P energy: -79.778
bonds (distance) P-C4' energy: -76.734
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -20.222
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: 104
Temperature: 0.900000
Total energy: -1958.807259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.807259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.807259 (E_RNA)
where:
Base-Base interactions energy: -1389.425
where: short stacking energy: -587.539
Base-Backbone interact. energy: -2.747
local terms energy: -566.635652
where:
bonds (distance) C4'-P energy: -97.572
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -118.879
flat angles P-C4'-P energy: -82.011
tors. eta vs tors. theta energy: -169.465
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: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1832.070798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.070798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.070798 (E_RNA)
where:
Base-Base interactions energy: -1274.692
where: short stacking energy: -550.021
Base-Backbone interact. energy: -0.279
local terms energy: -557.099803
where:
bonds (distance) C4'-P energy: -112.124
bonds (distance) P-C4' energy: -96.059
flat angles C4'-P-C4' energy: -126.844
flat angles P-C4'-P energy: -72.409
tors. eta vs tors. theta energy: -149.665
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1782.465402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.465402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.465402 (E_RNA)
where:
Base-Base interactions energy: -1248.539
where: short stacking energy: -518.188
Base-Backbone interact. energy: -1.098
local terms energy: -532.828054
where:
bonds (distance) C4'-P energy: -107.433
bonds (distance) P-C4' energy: -103.788
flat angles C4'-P-C4' energy: -100.447
flat angles P-C4'-P energy: -79.194
tors. eta vs tors. theta energy: -141.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1719.011781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.011781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.011781 (E_RNA)
where:
Base-Base interactions energy: -1194.412
where: short stacking energy: -494.853
Base-Backbone interact. energy: 2.609
local terms energy: -527.208321
where:
bonds (distance) C4'-P energy: -97.908
bonds (distance) P-C4' energy: -101.875
flat angles C4'-P-C4' energy: -117.362
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -129.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1640.832210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.832210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.832210 (E_RNA)
where:
Base-Base interactions energy: -1115.039
where: short stacking energy: -444.675
Base-Backbone interact. energy: -0.341
local terms energy: -525.452423
where:
bonds (distance) C4'-P energy: -107.239
bonds (distance) P-C4' energy: -93.954
flat angles C4'-P-C4' energy: -118.395
flat angles P-C4'-P energy: -76.712
tors. eta vs tors. theta energy: -129.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1564.023154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.023154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.023154 (E_RNA)
where:
Base-Base interactions energy: -1093.715
where: short stacking energy: -443.472
Base-Backbone interact. energy: -1.700
local terms energy: -468.608564
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -95.958
flat angles C4'-P-C4' energy: -96.930
flat angles P-C4'-P energy: -83.516
tors. eta vs tors. theta energy: -112.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1513.428036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.428036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.428036 (E_RNA)
where:
Base-Base interactions energy: -1072.946
where: short stacking energy: -447.522
Base-Backbone interact. energy: -1.651
local terms energy: -438.831372
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -105.643
flat angles P-C4'-P energy: -71.336
tors. eta vs tors. theta energy: -109.429
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1334.655397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.655397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.655397 (E_RNA)
where:
Base-Base interactions energy: -953.219
where: short stacking energy: -397.361
Base-Backbone interact. energy: -0.110
local terms energy: -381.326839
where:
bonds (distance) C4'-P energy: -68.972
bonds (distance) P-C4' energy: -82.853
flat angles C4'-P-C4' energy: -79.971
flat angles P-C4'-P energy: -68.885
tors. eta vs tors. theta energy: -80.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1125.497247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.497247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.497247 (E_RNA)
where:
Base-Base interactions energy: -765.490
where: short stacking energy: -314.889
Base-Backbone interact. energy: -0.583
local terms energy: -359.424383
where:
bonds (distance) C4'-P energy: -77.288
bonds (distance) P-C4' energy: -82.155
flat angles C4'-P-C4' energy: -95.864
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -762.841547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.841547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.841547 (E_RNA)
where:
Base-Base interactions energy: -467.018
where: short stacking energy: -212.620
Base-Backbone interact. energy: -0.646
local terms energy: -295.176944
where:
bonds (distance) C4'-P energy: -78.338
bonds (distance) P-C4' energy: -82.582
flat angles C4'-P-C4' energy: -86.049
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1939.901571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.901571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.901571 (E_RNA)
where:
Base-Base interactions energy: -1345.349
where: short stacking energy: -576.793
Base-Backbone interact. energy: -0.588
local terms energy: -593.964231
where:
bonds (distance) C4'-P energy: -106.469
bonds (distance) P-C4' energy: -101.085
flat angles C4'-P-C4' energy: -130.870
flat angles P-C4'-P energy: -87.818
tors. eta vs tors. theta energy: -167.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1825.022306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.022306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.022306 (E_RNA)
where:
Base-Base interactions energy: -1283.202
where: short stacking energy: -529.389
Base-Backbone interact. energy: -0.950
local terms energy: -540.870255
where:
bonds (distance) C4'-P energy: -105.974
bonds (distance) P-C4' energy: -108.209
flat angles C4'-P-C4' energy: -116.944
flat angles P-C4'-P energy: -69.972
tors. eta vs tors. theta energy: -139.770
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: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1778.861647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.861647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.861647 (E_RNA)
where:
Base-Base interactions energy: -1239.105
where: short stacking energy: -527.754
Base-Backbone interact. energy: -2.487
local terms energy: -537.270317
where:
bonds (distance) C4'-P energy: -90.610
bonds (distance) P-C4' energy: -104.313
flat angles C4'-P-C4' energy: -114.633
flat angles P-C4'-P energy: -84.608
tors. eta vs tors. theta energy: -143.106
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: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1724.874805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.874805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.874805 (E_RNA)
where:
Base-Base interactions energy: -1205.823
where: short stacking energy: -501.276
Base-Backbone interact. energy: -1.831
local terms energy: -517.221261
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -103.941
flat angles C4'-P-C4' energy: -112.301
flat angles P-C4'-P energy: -83.045
tors. eta vs tors. theta energy: -130.569
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: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1627.042882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.042882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.042882 (E_RNA)
where:
Base-Base interactions energy: -1128.554
where: short stacking energy: -473.866
Base-Backbone interact. energy: -1.337
local terms energy: -497.151809
where:
bonds (distance) C4'-P energy: -83.682
bonds (distance) P-C4' energy: -93.769
flat angles C4'-P-C4' energy: -113.570
flat angles P-C4'-P energy: -78.553
tors. eta vs tors. theta energy: -127.578
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: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1588.451055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.451055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.451055 (E_RNA)
where:
Base-Base interactions energy: -1101.334
where: short stacking energy: -448.644
Base-Backbone interact. energy: -0.515
local terms energy: -486.601886
where:
bonds (distance) C4'-P energy: -95.006
bonds (distance) P-C4' energy: -93.816
flat angles C4'-P-C4' energy: -103.130
flat angles P-C4'-P energy: -85.373
tors. eta vs tors. theta energy: -109.276
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: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1481.995844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.995844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.995844 (E_RNA)
where:
Base-Base interactions energy: -1041.879
where: short stacking energy: -421.975
Base-Backbone interact. energy: 3.159
local terms energy: -443.276240
where:
bonds (distance) C4'-P energy: -63.505
bonds (distance) P-C4' energy: -101.918
flat angles C4'-P-C4' energy: -100.062
flat angles P-C4'-P energy: -70.038
tors. eta vs tors. theta energy: -107.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1358.615153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.615153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.615153 (E_RNA)
where:
Base-Base interactions energy: -972.732
where: short stacking energy: -408.055
Base-Backbone interact. energy: -0.330
local terms energy: -385.553258
where:
bonds (distance) C4'-P energy: -84.671
bonds (distance) P-C4' energy: -74.366
flat angles C4'-P-C4' energy: -86.206
flat angles P-C4'-P energy: -62.194
tors. eta vs tors. theta energy: -78.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1169.973748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.973748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.973748 (E_RNA)
where:
Base-Base interactions energy: -779.523
where: short stacking energy: -346.758
Base-Backbone interact. energy: -2.371
local terms energy: -388.080571
where:
bonds (distance) C4'-P energy: -90.504
bonds (distance) P-C4' energy: -90.937
flat angles C4'-P-C4' energy: -82.273
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -71.602
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: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -805.959460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.959460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.959460 (E_RNA)
where:
Base-Base interactions energy: -478.936
where: short stacking energy: -219.439
Base-Backbone interact. energy: -1.443
local terms energy: -325.580651
where:
bonds (distance) C4'-P energy: -94.669
bonds (distance) P-C4' energy: -79.550
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -29.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1937.005588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.005588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.005588 (E_RNA)
where:
Base-Base interactions energy: -1352.122
where: short stacking energy: -557.078
Base-Backbone interact. energy: -2.473
local terms energy: -582.410443
where:
bonds (distance) C4'-P energy: -102.927
bonds (distance) P-C4' energy: -111.429
flat angles C4'-P-C4' energy: -125.836
flat angles P-C4'-P energy: -79.585
tors. eta vs tors. theta energy: -162.633
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: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1817.808215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.808215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.808215 (E_RNA)
where:
Base-Base interactions energy: -1260.630
where: short stacking energy: -527.710
Base-Backbone interact. energy: -1.228
local terms energy: -555.950451
where:
bonds (distance) C4'-P energy: -97.171
bonds (distance) P-C4' energy: -109.901
flat angles C4'-P-C4' energy: -125.138
flat angles P-C4'-P energy: -78.449
tors. eta vs tors. theta energy: -145.291
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: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1746.806904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.806904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.806904 (E_RNA)
where:
Base-Base interactions energy: -1228.210
where: short stacking energy: -517.178
Base-Backbone interact. energy: -3.148
local terms energy: -515.448957
where:
bonds (distance) C4'-P energy: -109.151
bonds (distance) P-C4' energy: -92.159
flat angles C4'-P-C4' energy: -106.018
flat angles P-C4'-P energy: -72.775
tors. eta vs tors. theta energy: -135.345
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: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1744.081764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.081764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.081764 (E_RNA)
where:
Base-Base interactions energy: -1214.976
where: short stacking energy: -497.252
Base-Backbone interact. energy: -2.079
local terms energy: -527.026816
where:
bonds (distance) C4'-P energy: -97.553
bonds (distance) P-C4' energy: -104.848
flat angles C4'-P-C4' energy: -111.787
flat angles P-C4'-P energy: -78.004
tors. eta vs tors. theta energy: -134.835
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1650.069949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.069949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.069949 (E_RNA)
where:
Base-Base interactions energy: -1156.613
where: short stacking energy: -487.158
Base-Backbone interact. energy: -1.539
local terms energy: -491.917936
where:
bonds (distance) C4'-P energy: -95.016
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -105.463
flat angles P-C4'-P energy: -74.562
tors. eta vs tors. theta energy: -130.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1545.187353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.187353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.187353 (E_RNA)
where:
Base-Base interactions energy: -1072.803
where: short stacking energy: -439.114
Base-Backbone interact. energy: -4.024
local terms energy: -468.360204
where:
bonds (distance) C4'-P energy: -94.849
bonds (distance) P-C4' energy: -87.846
flat angles C4'-P-C4' energy: -105.453
flat angles P-C4'-P energy: -65.353
tors. eta vs tors. theta energy: -114.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1462.495662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.495662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.495662 (E_RNA)
where:
Base-Base interactions energy: -1017.499
where: short stacking energy: -441.105
Base-Backbone interact. energy: 0.989
local terms energy: -445.985619
where:
bonds (distance) C4'-P energy: -73.882
bonds (distance) P-C4' energy: -94.429
flat angles C4'-P-C4' energy: -107.040
flat angles P-C4'-P energy: -57.489
tors. eta vs tors. theta energy: -113.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1292.921743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.921743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.921743 (E_RNA)
where:
Base-Base interactions energy: -861.652
where: short stacking energy: -365.430
Base-Backbone interact. energy: 0.705
local terms energy: -431.974156
where:
bonds (distance) C4'-P energy: -78.155
bonds (distance) P-C4' energy: -102.861
flat angles C4'-P-C4' energy: -96.703
flat angles P-C4'-P energy: -63.215
tors. eta vs tors. theta energy: -91.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1159.246826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.246826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.246826 (E_RNA)
where:
Base-Base interactions energy: -789.789
where: short stacking energy: -345.249
Base-Backbone interact. energy: 4.800
local terms energy: -374.257369
where:
bonds (distance) C4'-P energy: -65.515
bonds (distance) P-C4' energy: -100.306
flat angles C4'-P-C4' energy: -79.476
flat angles P-C4'-P energy: -58.965
tors. eta vs tors. theta energy: -69.995
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: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -843.283641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.283641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.283641 (E_RNA)
where:
Base-Base interactions energy: -484.681
where: short stacking energy: -232.890
Base-Backbone interact. energy: -0.834
local terms energy: -357.768253
where:
bonds (distance) C4'-P energy: -89.648
bonds (distance) P-C4' energy: -87.519
flat angles C4'-P-C4' energy: -92.985
flat angles P-C4'-P energy: -57.366
tors. eta vs tors. theta energy: -30.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1914.751733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.751733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.751733 (E_RNA)
where:
Base-Base interactions energy: -1332.801
where: short stacking energy: -571.925
Base-Backbone interact. energy: -2.471
local terms energy: -579.479699
where:
bonds (distance) C4'-P energy: -100.869
bonds (distance) P-C4' energy: -100.758
flat angles C4'-P-C4' energy: -127.054
flat angles P-C4'-P energy: -82.268
tors. eta vs tors. theta energy: -168.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1859.535034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.535034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.535034 (E_RNA)
where:
Base-Base interactions energy: -1275.339
where: short stacking energy: -535.092
Base-Backbone interact. energy: -2.733
local terms energy: -581.463010
where:
bonds (distance) C4'-P energy: -119.298
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -128.512
flat angles P-C4'-P energy: -87.284
tors. eta vs tors. theta energy: -148.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1762.979581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.979581 (E_RNA)
where:
Base-Base interactions energy: -1238.097
where: short stacking energy: -510.304
Base-Backbone interact. energy: -0.821
local terms energy: -524.062317
where:
bonds (distance) C4'-P energy: -98.452
bonds (distance) P-C4' energy: -99.113
flat angles C4'-P-C4' energy: -109.352
flat angles P-C4'-P energy: -76.355
tors. eta vs tors. theta energy: -140.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1740.884736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.884736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.884736 (E_RNA)
where:
Base-Base interactions energy: -1222.717
where: short stacking energy: -519.139
Base-Backbone interact. energy: 1.846
local terms energy: -520.014273
where:
bonds (distance) C4'-P energy: -89.678
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -121.675
flat angles P-C4'-P energy: -73.197
tors. eta vs tors. theta energy: -140.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1647.211203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.211203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.211203 (E_RNA)
where:
Base-Base interactions energy: -1147.547
where: short stacking energy: -480.957
Base-Backbone interact. energy: -0.918
local terms energy: -498.746607
where:
bonds (distance) C4'-P energy: -97.928
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -104.497
flat angles P-C4'-P energy: -83.908
tors. eta vs tors. theta energy: -116.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1594.675503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.675503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.675503 (E_RNA)
where:
Base-Base interactions energy: -1129.125
where: short stacking energy: -482.608
Base-Backbone interact. energy: -2.047
local terms energy: -463.504032
where:
bonds (distance) C4'-P energy: -89.020
bonds (distance) P-C4' energy: -85.909
flat angles C4'-P-C4' energy: -111.003
flat angles P-C4'-P energy: -65.880
tors. eta vs tors. theta energy: -111.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1448.368353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.368353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.368353 (E_RNA)
where:
Base-Base interactions energy: -983.613
where: short stacking energy: -414.874
Base-Backbone interact. energy: -1.827
local terms energy: -462.928088
where:
bonds (distance) C4'-P energy: -85.278
bonds (distance) P-C4' energy: -91.779
flat angles C4'-P-C4' energy: -102.799
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: -105.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1273.332247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.332247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.332247 (E_RNA)
where:
Base-Base interactions energy: -865.421
where: short stacking energy: -354.767
Base-Backbone interact. energy: -0.563
local terms energy: -407.348103
where:
bonds (distance) C4'-P energy: -91.853
bonds (distance) P-C4' energy: -88.689
flat angles C4'-P-C4' energy: -97.316
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -77.007
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: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1164.460806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.460806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.460806 (E_RNA)
where:
Base-Base interactions energy: -782.344
where: short stacking energy: -326.972
Base-Backbone interact. energy: 0.588
local terms energy: -382.704640
where:
bonds (distance) C4'-P energy: -78.212
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -100.649
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -63.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -882.893065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.893065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.893065 (E_RNA)
where:
Base-Base interactions energy: -543.767
where: short stacking energy: -271.051
Base-Backbone interact. energy: 0.426
local terms energy: -339.552455
where:
bonds (distance) C4'-P energy: -86.065
bonds (distance) P-C4' energy: -96.085
flat angles C4'-P-C4' energy: -65.294
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -37.882
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: 108
Temperature: 0.900000
Total energy: -1938.720404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.720404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.720404 (E_RNA)
where:
Base-Base interactions energy: -1366.324
where: short stacking energy: -570.859
Base-Backbone interact. energy: -3.625
local terms energy: -568.771757
where:
bonds (distance) C4'-P energy: -108.173
bonds (distance) P-C4' energy: -108.568
flat angles C4'-P-C4' energy: -121.991
flat angles P-C4'-P energy: -76.678
tors. eta vs tors. theta energy: -153.361
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: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1830.655221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.655221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.655221 (E_RNA)
where:
Base-Base interactions energy: -1289.407
where: short stacking energy: -556.594
Base-Backbone interact. energy: 0.895
local terms energy: -542.142523
where:
bonds (distance) C4'-P energy: -103.305
bonds (distance) P-C4' energy: -91.690
flat angles C4'-P-C4' energy: -114.315
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -146.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1778.642271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.642271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.642271 (E_RNA)
where:
Base-Base interactions energy: -1248.356
where: short stacking energy: -534.397
Base-Backbone interact. energy: 4.940
local terms energy: -535.225593
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -110.461
flat angles C4'-P-C4' energy: -114.826
flat angles P-C4'-P energy: -76.393
tors. eta vs tors. theta energy: -133.649
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1773.260506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.260506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.260506 (E_RNA)
where:
Base-Base interactions energy: -1259.658
where: short stacking energy: -519.020
Base-Backbone interact. energy: -0.466
local terms energy: -513.136715
where:
bonds (distance) C4'-P energy: -96.964
bonds (distance) P-C4' energy: -108.266
flat angles C4'-P-C4' energy: -102.563
flat angles P-C4'-P energy: -71.658
tors. eta vs tors. theta energy: -133.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1644.568075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.568075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.568075 (E_RNA)
where:
Base-Base interactions energy: -1135.706
where: short stacking energy: -475.767
Base-Backbone interact. energy: -3.712
local terms energy: -505.150442
where:
bonds (distance) C4'-P energy: -92.275
bonds (distance) P-C4' energy: -109.832
flat angles C4'-P-C4' energy: -107.603
flat angles P-C4'-P energy: -74.609
tors. eta vs tors. theta energy: -120.832
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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1554.982479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.982479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.982479 (E_RNA)
where:
Base-Base interactions energy: -1065.484
where: short stacking energy: -445.754
Base-Backbone interact. energy: -4.956
local terms energy: -484.542353
where:
bonds (distance) C4'-P energy: -91.540
bonds (distance) P-C4' energy: -94.780
flat angles C4'-P-C4' energy: -101.986
flat angles P-C4'-P energy: -65.180
tors. eta vs tors. theta energy: -131.057
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: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1422.256868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.256868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.256868 (E_RNA)
where:
Base-Base interactions energy: -981.291
where: short stacking energy: -413.169
Base-Backbone interact. energy: 0.450
local terms energy: -441.415904
where:
bonds (distance) C4'-P energy: -91.131
bonds (distance) P-C4' energy: -97.732
flat angles C4'-P-C4' energy: -99.250
flat angles P-C4'-P energy: -62.910
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: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1324.322694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.322694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.322694 (E_RNA)
where:
Base-Base interactions energy: -939.749
where: short stacking energy: -392.509
Base-Backbone interact. energy: -0.005
local terms energy: -384.568850
where:
bonds (distance) C4'-P energy: -81.530
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -95.691
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: -80.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1193.212143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.212143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.212143 (E_RNA)
where:
Base-Base interactions energy: -815.671
where: short stacking energy: -350.200
Base-Backbone interact. energy: -4.857
local terms energy: -372.684085
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -99.930
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -59.125
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: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -832.123615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.123615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.123615 (E_RNA)
where:
Base-Base interactions energy: -492.600
where: short stacking energy: -230.791
Base-Backbone interact. energy: -0.188
local terms energy: -339.335674
where:
bonds (distance) C4'-P energy: -80.517
bonds (distance) P-C4' energy: -91.280
flat angles C4'-P-C4' energy: -85.724
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -28.835
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: 109
Temperature: 0.900000
Total energy: -1915.412039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.412039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.412039 (E_RNA)
where:
Base-Base interactions energy: -1344.392
where: short stacking energy: -546.510
Base-Backbone interact. energy: -4.248
local terms energy: -566.772194
where:
bonds (distance) C4'-P energy: -103.820
bonds (distance) P-C4' energy: -96.735
flat angles C4'-P-C4' energy: -129.098
flat angles P-C4'-P energy: -84.495
tors. eta vs tors. theta energy: -152.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1791.409421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.409421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.409421 (E_RNA)
where:
Base-Base interactions energy: -1248.670
where: short stacking energy: -558.133
Base-Backbone interact. energy: -2.292
local terms energy: -540.446964
where:
bonds (distance) C4'-P energy: -99.647
bonds (distance) P-C4' energy: -94.215
flat angles C4'-P-C4' energy: -124.745
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: -149.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1782.601017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.601017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.601017 (E_RNA)
where:
Base-Base interactions energy: -1241.407
where: short stacking energy: -500.985
Base-Backbone interact. energy: 0.477
local terms energy: -541.671520
where:
bonds (distance) C4'-P energy: -109.420
bonds (distance) P-C4' energy: -109.257
flat angles C4'-P-C4' energy: -115.635
flat angles P-C4'-P energy: -79.673
tors. eta vs tors. theta energy: -127.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1719.664530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.664530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.664530 (E_RNA)
where:
Base-Base interactions energy: -1203.573
where: short stacking energy: -490.187
Base-Backbone interact. energy: -2.905
local terms energy: -513.187371
where:
bonds (distance) C4'-P energy: -91.733
bonds (distance) P-C4' energy: -105.624
flat angles C4'-P-C4' energy: -114.616
flat angles P-C4'-P energy: -70.976
tors. eta vs tors. theta energy: -130.238
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: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1627.305633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.305633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.305633 (E_RNA)
where:
Base-Base interactions energy: -1156.412
where: short stacking energy: -469.746
Base-Backbone interact. energy: 3.186
local terms energy: -474.079584
where:
bonds (distance) C4'-P energy: -84.285
bonds (distance) P-C4' energy: -98.261
flat angles C4'-P-C4' energy: -112.233
flat angles P-C4'-P energy: -69.323
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1608.167644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.167644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.167644 (E_RNA)
where:
Base-Base interactions energy: -1116.759
where: short stacking energy: -474.359
Base-Backbone interact. energy: -3.965
local terms energy: -487.443388
where:
bonds (distance) C4'-P energy: -86.249
bonds (distance) P-C4' energy: -92.730
flat angles C4'-P-C4' energy: -103.120
flat angles P-C4'-P energy: -78.475
tors. eta vs tors. theta energy: -126.869
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: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1422.086502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.086502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.086502 (E_RNA)
where:
Base-Base interactions energy: -991.083
where: short stacking energy: -416.757
Base-Backbone interact. energy: -1.787
local terms energy: -429.216640
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -77.392
flat angles C4'-P-C4' energy: -101.042
flat angles P-C4'-P energy: -72.528
tors. eta vs tors. theta energy: -91.802
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: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1344.288897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.288897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.288897 (E_RNA)
where:
Base-Base interactions energy: -949.390
where: short stacking energy: -405.943
Base-Backbone interact. energy: 1.747
local terms energy: -396.645286
where:
bonds (distance) C4'-P energy: -79.008
bonds (distance) P-C4' energy: -75.625
flat angles C4'-P-C4' energy: -105.260
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -90.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1136.335268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.335268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.335268 (E_RNA)
where:
Base-Base interactions energy: -773.573
where: short stacking energy: -326.203
Base-Backbone interact. energy: 4.229
local terms energy: -366.991069
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -78.115
flat angles C4'-P-C4' energy: -91.759
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -857.277593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.277593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.277593 (E_RNA)
where:
Base-Base interactions energy: -514.320
where: short stacking energy: -240.849
Base-Backbone interact. energy: -0.557
local terms energy: -342.400294
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: -36.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1912.476648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.476648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.476648 (E_RNA)
where:
Base-Base interactions energy: -1337.470
where: short stacking energy: -565.451
Base-Backbone interact. energy: -0.358
local terms energy: -574.648600
where:
bonds (distance) C4'-P energy: -106.214
bonds (distance) P-C4' energy: -103.910
flat angles C4'-P-C4' energy: -123.791
flat angles P-C4'-P energy: -80.042
tors. eta vs tors. theta energy: -160.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1800.901151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.901151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.901151 (E_RNA)
where:
Base-Base interactions energy: -1259.192
where: short stacking energy: -526.343
Base-Backbone interact. energy: -1.055
local terms energy: -540.654554
where:
bonds (distance) C4'-P energy: -102.857
bonds (distance) P-C4' energy: -108.849
flat angles C4'-P-C4' energy: -117.993
flat angles P-C4'-P energy: -71.658
tors. eta vs tors. theta energy: -139.298
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1798.506218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.506218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.506218 (E_RNA)
where:
Base-Base interactions energy: -1263.530
where: short stacking energy: -546.478
Base-Backbone interact. energy: 1.414
local terms energy: -536.390997
where:
bonds (distance) C4'-P energy: -97.074
bonds (distance) P-C4' energy: -107.661
flat angles C4'-P-C4' energy: -117.396
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -146.038
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: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1746.399387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.399387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.399387 (E_RNA)
where:
Base-Base interactions energy: -1207.816
where: short stacking energy: -508.648
Base-Backbone interact. energy: -1.952
local terms energy: -536.631728
where:
bonds (distance) C4'-P energy: -101.902
bonds (distance) P-C4' energy: -96.129
flat angles C4'-P-C4' energy: -119.059
flat angles P-C4'-P energy: -87.754
tors. eta vs tors. theta energy: -131.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1627.553571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.553571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.553571 (E_RNA)
where:
Base-Base interactions energy: -1130.506
where: short stacking energy: -457.362
Base-Backbone interact. energy: 0.694
local terms energy: -497.741126
where:
bonds (distance) C4'-P energy: -100.409
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -108.995
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -121.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1601.281860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.281860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.281860 (E_RNA)
where:
Base-Base interactions energy: -1114.357
where: short stacking energy: -460.755
Base-Backbone interact. energy: 1.511
local terms energy: -488.435685
where:
bonds (distance) C4'-P energy: -99.784
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -61.597
tors. eta vs tors. theta energy: -127.915
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: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1388.362434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.362434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.362434 (E_RNA)
where:
Base-Base interactions energy: -972.348
where: short stacking energy: -386.429
Base-Backbone interact. energy: -1.567
local terms energy: -414.447528
where:
bonds (distance) C4'-P energy: -84.731
bonds (distance) P-C4' energy: -91.149
flat angles C4'-P-C4' energy: -98.860
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -81.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1312.522647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.522647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.522647 (E_RNA)
where:
Base-Base interactions energy: -925.737
where: short stacking energy: -376.456
Base-Backbone interact. energy: 1.909
local terms energy: -388.694550
where:
bonds (distance) C4'-P energy: -83.075
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -92.285
flat angles P-C4'-P energy: -43.919
tors. eta vs tors. theta energy: -86.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1174.146655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.146655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.146655 (E_RNA)
where:
Base-Base interactions energy: -778.515
where: short stacking energy: -324.951
Base-Backbone interact. energy: 1.277
local terms energy: -396.908986
where:
bonds (distance) C4'-P energy: -82.081
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -96.955
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -67.082
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: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -836.318073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.318073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.318073 (E_RNA)
where:
Base-Base interactions energy: -509.603
where: short stacking energy: -221.235
Base-Backbone interact. energy: -0.426
local terms energy: -326.289653
where:
bonds (distance) C4'-P energy: -73.001
bonds (distance) P-C4' energy: -108.308
flat angles C4'-P-C4' energy: -90.528
flat angles P-C4'-P energy: -37.417
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1940.134172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.134172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.134172 (E_RNA)
where:
Base-Base interactions energy: -1351.119
where: short stacking energy: -549.874
Base-Backbone interact. energy: -3.926
local terms energy: -585.090042
where:
bonds (distance) C4'-P energy: -97.774
bonds (distance) P-C4' energy: -114.780
flat angles C4'-P-C4' energy: -124.051
flat angles P-C4'-P energy: -91.832
tors. eta vs tors. theta energy: -156.654
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: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1815.793892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.793892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.793892 (E_RNA)
where:
Base-Base interactions energy: -1282.469
where: short stacking energy: -533.238
Base-Backbone interact. energy: -1.308
local terms energy: -532.017502
where:
bonds (distance) C4'-P energy: -101.705
bonds (distance) P-C4' energy: -88.777
flat angles C4'-P-C4' energy: -121.986
flat angles P-C4'-P energy: -77.122
tors. eta vs tors. theta energy: -142.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1752.650469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.650469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.650469 (E_RNA)
where:
Base-Base interactions energy: -1228.040
where: short stacking energy: -506.860
Base-Backbone interact. energy: -0.698
local terms energy: -523.912547
where:
bonds (distance) C4'-P energy: -91.251
bonds (distance) P-C4' energy: -103.041
flat angles C4'-P-C4' energy: -116.258
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -135.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1698.460486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.460486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.460486 (E_RNA)
where:
Base-Base interactions energy: -1190.494
where: short stacking energy: -497.391
Base-Backbone interact. energy: -1.685
local terms energy: -506.281849
where:
bonds (distance) C4'-P energy: -95.799
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -116.357
flat angles P-C4'-P energy: -73.586
tors. eta vs tors. theta energy: -126.890
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1654.772454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.772454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.772454 (E_RNA)
where:
Base-Base interactions energy: -1155.768
where: short stacking energy: -478.788
Base-Backbone interact. energy: 0.167
local terms energy: -499.171121
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -105.776
flat angles C4'-P-C4' energy: -110.977
flat angles P-C4'-P energy: -66.861
tors. eta vs tors. theta energy: -126.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1591.645718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.645718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.645718 (E_RNA)
where:
Base-Base interactions energy: -1108.452
where: short stacking energy: -475.725
Base-Backbone interact. energy: -0.990
local terms energy: -482.202731
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -107.338
flat angles P-C4'-P energy: -74.016
tors. eta vs tors. theta energy: -121.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1408.312758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.312758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.312758 (E_RNA)
where:
Base-Base interactions energy: -976.515
where: short stacking energy: -409.233
Base-Backbone interact. energy: 0.557
local terms energy: -432.354527
where:
bonds (distance) C4'-P energy: -90.779
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -93.534
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: -90.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1289.333944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.333944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.333944 (E_RNA)
where:
Base-Base interactions energy: -859.449
where: short stacking energy: -358.625
Base-Backbone interact. energy: 0.553
local terms energy: -430.437919
where:
bonds (distance) C4'-P energy: -93.892
bonds (distance) P-C4' energy: -85.737
flat angles C4'-P-C4' energy: -91.890
flat angles P-C4'-P energy: -77.574
tors. eta vs tors. theta energy: -81.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1240.995740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.995740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.995740 (E_RNA)
where:
Base-Base interactions energy: -848.908
where: short stacking energy: -352.136
Base-Backbone interact. energy: -1.374
local terms energy: -390.714462
where:
bonds (distance) C4'-P energy: -80.641
bonds (distance) P-C4' energy: -77.067
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -61.256
tors. eta vs tors. theta energy: -68.023
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: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -842.649366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.649366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.649366 (E_RNA)
where:
Base-Base interactions energy: -538.009
where: short stacking energy: -240.474
Base-Backbone interact. energy: -1.837
local terms energy: -302.803101
where:
bonds (distance) C4'-P energy: -72.592
bonds (distance) P-C4' energy: -91.114
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1937.890351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.890351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.890351 (E_RNA)
where:
Base-Base interactions energy: -1358.141
where: short stacking energy: -568.711
Base-Backbone interact. energy: -1.425
local terms energy: -578.323900
where:
bonds (distance) C4'-P energy: -99.024
bonds (distance) P-C4' energy: -114.992
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -79.608
tors. eta vs tors. theta energy: -163.390
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: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1813.373603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.373603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.373603 (E_RNA)
where:
Base-Base interactions energy: -1270.195
where: short stacking energy: -534.478
Base-Backbone interact. energy: -3.077
local terms energy: -540.101479
where:
bonds (distance) C4'-P energy: -98.441
bonds (distance) P-C4' energy: -109.664
flat angles C4'-P-C4' energy: -110.867
flat angles P-C4'-P energy: -75.513
tors. eta vs tors. theta energy: -145.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1769.538868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.538868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.538868 (E_RNA)
where:
Base-Base interactions energy: -1247.660
where: short stacking energy: -527.644
Base-Backbone interact. energy: -2.393
local terms energy: -519.485471
where:
bonds (distance) C4'-P energy: -89.279
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -124.671
flat angles P-C4'-P energy: -70.557
tors. eta vs tors. theta energy: -137.130
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: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1704.258511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.258511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.258511 (E_RNA)
where:
Base-Base interactions energy: -1162.538
where: short stacking energy: -505.991
Base-Backbone interact. energy: -2.635
local terms energy: -539.085241
where:
bonds (distance) C4'-P energy: -84.561
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -125.486
flat angles P-C4'-P energy: -82.933
tors. eta vs tors. theta energy: -133.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1707.661204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.661204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.661204 (E_RNA)
where:
Base-Base interactions energy: -1170.463
where: short stacking energy: -501.296
Base-Backbone interact. energy: -1.066
local terms energy: -536.132158
where:
bonds (distance) C4'-P energy: -101.118
bonds (distance) P-C4' energy: -114.913
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -63.724
tors. eta vs tors. theta energy: -139.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1589.764355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.764355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.764355 (E_RNA)
where:
Base-Base interactions energy: -1098.224
where: short stacking energy: -457.577
Base-Backbone interact. energy: 0.731
local terms energy: -492.272204
where:
bonds (distance) C4'-P energy: -85.916
bonds (distance) P-C4' energy: -104.449
flat angles C4'-P-C4' energy: -108.669
flat angles P-C4'-P energy: -68.274
tors. eta vs tors. theta energy: -124.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1431.631732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.631732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.631732 (E_RNA)
where:
Base-Base interactions energy: -988.219
where: short stacking energy: -425.193
Base-Backbone interact. energy: -1.492
local terms energy: -441.921114
where:
bonds (distance) C4'-P energy: -84.010
bonds (distance) P-C4' energy: -89.691
flat angles C4'-P-C4' energy: -100.371
flat angles P-C4'-P energy: -58.043
tors. eta vs tors. theta energy: -109.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1318.550953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.550953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.550953 (E_RNA)
where:
Base-Base interactions energy: -928.366
where: short stacking energy: -401.973
Base-Backbone interact. energy: 2.278
local terms energy: -392.462944
where:
bonds (distance) C4'-P energy: -86.508
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -95.605
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: -83.287
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: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1202.378972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.378972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.378972 (E_RNA)
where:
Base-Base interactions energy: -819.112
where: short stacking energy: -357.302
Base-Backbone interact. energy: -2.670
local terms energy: -380.597037
where:
bonds (distance) C4'-P energy: -91.734
bonds (distance) P-C4' energy: -86.342
flat angles C4'-P-C4' energy: -88.689
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -68.119
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: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -852.035290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.035290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.035290 (E_RNA)
where:
Base-Base interactions energy: -499.260
where: short stacking energy: -254.532
Base-Backbone interact. energy: 0.245
local terms energy: -353.019927
where:
bonds (distance) C4'-P energy: -76.768
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -55.953
tors. eta vs tors. theta energy: -37.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1939.363326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.363326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.363326 (E_RNA)
where:
Base-Base interactions energy: -1372.824
where: short stacking energy: -565.636
Base-Backbone interact. energy: -3.039
local terms energy: -563.500237
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -106.617
flat angles C4'-P-C4' energy: -117.197
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -155.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1832.308978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.308978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.308978 (E_RNA)
where:
Base-Base interactions energy: -1275.811
where: short stacking energy: -529.908
Base-Backbone interact. energy: 1.734
local terms energy: -558.232465
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -113.794
flat angles P-C4'-P energy: -89.103
tors. eta vs tors. theta energy: -150.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1767.395053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.395053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.395053 (E_RNA)
where:
Base-Base interactions energy: -1226.888
where: short stacking energy: -522.316
Base-Backbone interact. energy: -1.049
local terms energy: -539.458071
where:
bonds (distance) C4'-P energy: -112.809
bonds (distance) P-C4' energy: -103.427
flat angles C4'-P-C4' energy: -113.180
flat angles P-C4'-P energy: -74.718
tors. eta vs tors. theta energy: -135.325
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: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1731.370258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.370258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.370258 (E_RNA)
where:
Base-Base interactions energy: -1212.879
where: short stacking energy: -495.870
Base-Backbone interact. energy: -1.471
local terms energy: -517.019750
where:
bonds (distance) C4'-P energy: -96.137
bonds (distance) P-C4' energy: -104.829
flat angles C4'-P-C4' energy: -109.146
flat angles P-C4'-P energy: -87.658
tors. eta vs tors. theta energy: -119.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1707.865731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.865731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.865731 (E_RNA)
where:
Base-Base interactions energy: -1201.271
where: short stacking energy: -516.188
Base-Backbone interact. energy: -3.310
local terms energy: -503.284252
where:
bonds (distance) C4'-P energy: -94.866
bonds (distance) P-C4' energy: -99.408
flat angles C4'-P-C4' energy: -110.072
flat angles P-C4'-P energy: -66.248
tors. eta vs tors. theta energy: -132.690
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: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1615.521333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.521333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.521333 (E_RNA)
where:
Base-Base interactions energy: -1123.496
where: short stacking energy: -462.592
Base-Backbone interact. energy: -3.107
local terms energy: -488.918875
where:
bonds (distance) C4'-P energy: -95.543
bonds (distance) P-C4' energy: -94.212
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -64.099
tors. eta vs tors. theta energy: -128.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1502.351762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.351762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.351762 (E_RNA)
where:
Base-Base interactions energy: -1031.723
where: short stacking energy: -435.214
Base-Backbone interact. energy: -4.005
local terms energy: -466.623968
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -102.097
flat angles P-C4'-P energy: -70.799
tors. eta vs tors. theta energy: -103.765
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: 113
Temperature: 1.250000
Total energy: -1337.184213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.184213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.184213 (E_RNA)
where:
Base-Base interactions energy: -907.245
where: short stacking energy: -378.634
Base-Backbone interact. energy: -0.362
local terms energy: -429.577012
where:
bonds (distance) C4'-P energy: -75.641
bonds (distance) P-C4' energy: -90.725
flat angles C4'-P-C4' energy: -100.292
flat angles P-C4'-P energy: -62.437
tors. eta vs tors. theta energy: -100.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1211.593605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.593605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.593605 (E_RNA)
where:
Base-Base interactions energy: -813.463
where: short stacking energy: -328.617
Base-Backbone interact. energy: -1.601
local terms energy: -396.530032
where:
bonds (distance) C4'-P energy: -87.569
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -96.055
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -62.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -833.960970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.960970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.960970 (E_RNA)
where:
Base-Base interactions energy: -499.680
where: short stacking energy: -218.034
Base-Backbone interact. energy: 0.109
local terms energy: -334.389175
where:
bonds (distance) C4'-P energy: -92.972
bonds (distance) P-C4' energy: -96.369
flat angles C4'-P-C4' energy: -76.117
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1942.386809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.386809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.386809 (E_RNA)
where:
Base-Base interactions energy: -1361.612
where: short stacking energy: -587.946
Base-Backbone interact. energy: -7.843
local terms energy: -572.931772
where:
bonds (distance) C4'-P energy: -89.355
bonds (distance) P-C4' energy: -104.244
flat angles C4'-P-C4' energy: -122.896
flat angles P-C4'-P energy: -82.325
tors. eta vs tors. theta energy: -174.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1833.968281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.968281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.968281 (E_RNA)
where:
Base-Base interactions energy: -1285.416
where: short stacking energy: -525.221
Base-Backbone interact. energy: -4.300
local terms energy: -544.252539
where:
bonds (distance) C4'-P energy: -94.430
bonds (distance) P-C4' energy: -102.772
flat angles C4'-P-C4' energy: -123.112
flat angles P-C4'-P energy: -77.299
tors. eta vs tors. theta energy: -146.639
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: 114
Temperature: 1.000000
Total energy: -1782.296669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.296669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.296669 (E_RNA)
where:
Base-Base interactions energy: -1232.274
where: short stacking energy: -524.706
Base-Backbone interact. energy: -3.556
local terms energy: -546.467148
where:
bonds (distance) C4'-P energy: -100.946
bonds (distance) P-C4' energy: -105.166
flat angles C4'-P-C4' energy: -117.673
flat angles P-C4'-P energy: -80.604
tors. eta vs tors. theta energy: -142.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1700.080510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.080510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.080510 (E_RNA)
where:
Base-Base interactions energy: -1179.906
where: short stacking energy: -477.696
Base-Backbone interact. energy: 0.560
local terms energy: -520.734056
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -102.639
flat angles C4'-P-C4' energy: -120.989
flat angles P-C4'-P energy: -89.208
tors. eta vs tors. theta energy: -126.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1644.886076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.886076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.886076 (E_RNA)
where:
Base-Base interactions energy: -1159.963
where: short stacking energy: -500.800
Base-Backbone interact. energy: -2.149
local terms energy: -482.773330
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -71.267
flat angles C4'-P-C4' energy: -126.020
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1618.874177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.874177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.874177 (E_RNA)
where:
Base-Base interactions energy: -1148.344
where: short stacking energy: -486.190
Base-Backbone interact. energy: -0.750
local terms energy: -469.780590
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -100.491
flat angles C4'-P-C4' energy: -111.283
flat angles P-C4'-P energy: -53.851
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1426.245713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.245713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.245713 (E_RNA)
where:
Base-Base interactions energy: -981.115
where: short stacking energy: -437.635
Base-Backbone interact. energy: -1.179
local terms energy: -443.952268
where:
bonds (distance) C4'-P energy: -92.819
bonds (distance) P-C4' energy: -94.924
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -101.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1357.304897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.304897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.304897 (E_RNA)
where:
Base-Base interactions energy: -900.455
where: short stacking energy: -378.329
Base-Backbone interact. energy: -3.430
local terms energy: -453.419068
where:
bonds (distance) C4'-P energy: -95.134
bonds (distance) P-C4' energy: -100.217
flat angles C4'-P-C4' energy: -95.889
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -96.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1208.230313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.230313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.230313 (E_RNA)
where:
Base-Base interactions energy: -810.914
where: short stacking energy: -377.018
Base-Backbone interact. energy: -0.036
local terms energy: -397.280592
where:
bonds (distance) C4'-P energy: -79.050
bonds (distance) P-C4' energy: -82.557
flat angles C4'-P-C4' energy: -98.239
flat angles P-C4'-P energy: -62.653
tors. eta vs tors. theta energy: -74.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -855.525812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.525812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.525812 (E_RNA)
where:
Base-Base interactions energy: -522.733
where: short stacking energy: -247.255
Base-Backbone interact. energy: -0.574
local terms energy: -332.218492
where:
bonds (distance) C4'-P energy: -84.280
bonds (distance) P-C4' energy: -86.157
flat angles C4'-P-C4' energy: -85.270
flat angles P-C4'-P energy: -54.668
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1912.824055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.824055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.824055 (E_RNA)
where:
Base-Base interactions energy: -1324.739
where: short stacking energy: -556.535
Base-Backbone interact. energy: -1.568
local terms energy: -586.517067
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -111.995
flat angles C4'-P-C4' energy: -123.212
flat angles P-C4'-P energy: -83.348
tors. eta vs tors. theta energy: -164.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1812.030013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.030013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.030013 (E_RNA)
where:
Base-Base interactions energy: -1283.852
where: short stacking energy: -533.656
Base-Backbone interact. energy: -3.205
local terms energy: -524.972762
where:
bonds (distance) C4'-P energy: -81.210
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -120.069
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -139.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1736.091284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.091284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.091284 (E_RNA)
where:
Base-Base interactions energy: -1214.247
where: short stacking energy: -511.095
Base-Backbone interact. energy: -3.040
local terms energy: -518.804207
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -97.124
flat angles C4'-P-C4' energy: -115.394
flat angles P-C4'-P energy: -72.942
tors. eta vs tors. theta energy: -136.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1762.579953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.579953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.579953 (E_RNA)
where:
Base-Base interactions energy: -1209.021
where: short stacking energy: -532.351
Base-Backbone interact. energy: -2.141
local terms energy: -551.418471
where:
bonds (distance) C4'-P energy: -98.084
bonds (distance) P-C4' energy: -112.264
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -73.015
tors. eta vs tors. theta energy: -150.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1654.614798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.614798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.614798 (E_RNA)
where:
Base-Base interactions energy: -1131.459
where: short stacking energy: -483.200
Base-Backbone interact. energy: -3.773
local terms energy: -519.382982
where:
bonds (distance) C4'-P energy: -93.727
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -119.005
flat angles P-C4'-P energy: -76.981
tors. eta vs tors. theta energy: -127.994
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1607.391370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.391370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.391370 (E_RNA)
where:
Base-Base interactions energy: -1106.246
where: short stacking energy: -467.588
Base-Backbone interact. energy: 0.858
local terms energy: -502.003461
where:
bonds (distance) C4'-P energy: -96.426
bonds (distance) P-C4' energy: -101.160
flat angles C4'-P-C4' energy: -110.146
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -124.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1398.045607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.045607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.045607 (E_RNA)
where:
Base-Base interactions energy: -950.218
where: short stacking energy: -400.296
Base-Backbone interact. energy: -0.255
local terms energy: -447.571794
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -91.755
flat angles C4'-P-C4' energy: -95.643
flat angles P-C4'-P energy: -65.713
tors. eta vs tors. theta energy: -105.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1344.649999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.649999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.649999 (E_RNA)
where:
Base-Base interactions energy: -910.344
where: short stacking energy: -385.454
Base-Backbone interact. energy: 2.467
local terms energy: -436.772887
where:
bonds (distance) C4'-P energy: -87.993
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -99.675
flat angles P-C4'-P energy: -61.502
tors. eta vs tors. theta energy: -90.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1222.698914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.698914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.698914 (E_RNA)
where:
Base-Base interactions energy: -811.425
where: short stacking energy: -345.082
Base-Backbone interact. energy: -3.309
local terms energy: -407.964688
where:
bonds (distance) C4'-P energy: -93.343
bonds (distance) P-C4' energy: -89.086
flat angles C4'-P-C4' energy: -101.690
flat angles P-C4'-P energy: -59.884
tors. eta vs tors. theta energy: -63.962
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: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -850.062922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.062922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.062922 (E_RNA)
where:
Base-Base interactions energy: -497.841
where: short stacking energy: -233.152
Base-Backbone interact. energy: 3.618
local terms energy: -355.839770
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -85.624
flat angles C4'-P-C4' energy: -91.283
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -43.595
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: 116
Temperature: 0.900000
Total energy: -1911.052767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.052767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.052767 (E_RNA)
where:
Base-Base interactions energy: -1335.356
where: short stacking energy: -558.880
Base-Backbone interact. energy: -0.128
local terms energy: -575.567783
where:
bonds (distance) C4'-P energy: -101.412
bonds (distance) P-C4' energy: -110.971
flat angles C4'-P-C4' energy: -121.982
flat angles P-C4'-P energy: -84.463
tors. eta vs tors. theta energy: -156.739
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1826.278877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.278877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.278877 (E_RNA)
where:
Base-Base interactions energy: -1289.313
where: short stacking energy: -524.249
Base-Backbone interact. energy: -2.680
local terms energy: -534.285235
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -111.026
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -137.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1758.735966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.735966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.735966 (E_RNA)
where:
Base-Base interactions energy: -1226.692
where: short stacking energy: -502.547
Base-Backbone interact. energy: -1.552
local terms energy: -530.491994
where:
bonds (distance) C4'-P energy: -93.023
bonds (distance) P-C4' energy: -106.747
flat angles C4'-P-C4' energy: -119.123
flat angles P-C4'-P energy: -76.850
tors. eta vs tors. theta energy: -134.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1716.511493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.511493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.511493 (E_RNA)
where:
Base-Base interactions energy: -1171.793
where: short stacking energy: -510.546
Base-Backbone interact. energy: -0.437
local terms energy: -544.281893
where:
bonds (distance) C4'-P energy: -104.816
bonds (distance) P-C4' energy: -112.787
flat angles C4'-P-C4' energy: -115.711
flat angles P-C4'-P energy: -76.715
tors. eta vs tors. theta energy: -134.252
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: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1684.103956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.103956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.103956 (E_RNA)
where:
Base-Base interactions energy: -1178.788
where: short stacking energy: -495.907
Base-Backbone interact. energy: 8.389
local terms energy: -513.705720
where:
bonds (distance) C4'-P energy: -103.704
bonds (distance) P-C4' energy: -81.862
flat angles C4'-P-C4' energy: -110.265
flat angles P-C4'-P energy: -86.619
tors. eta vs tors. theta energy: -131.256
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: 116
Temperature: 1.150000
Total energy: -1617.312684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.312684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.312684 (E_RNA)
where:
Base-Base interactions energy: -1151.698
where: short stacking energy: -466.414
Base-Backbone interact. energy: -1.124
local terms energy: -464.490846
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -87.674
flat angles C4'-P-C4' energy: -114.345
flat angles P-C4'-P energy: -64.736
tors. eta vs tors. theta energy: -123.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1427.642309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.642309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.642309 (E_RNA)
where:
Base-Base interactions energy: -942.778
where: short stacking energy: -425.195
Base-Backbone interact. energy: 1.744
local terms energy: -486.608117
where:
bonds (distance) C4'-P energy: -93.081
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -75.929
tors. eta vs tors. theta energy: -107.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1369.958461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.958461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.958461 (E_RNA)
where:
Base-Base interactions energy: -942.469
where: short stacking energy: -427.205
Base-Backbone interact. energy: -1.374
local terms energy: -426.115002
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -85.017
flat angles P-C4'-P energy: -75.321
tors. eta vs tors. theta energy: -99.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1181.137993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.137993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.137993 (E_RNA)
where:
Base-Base interactions energy: -782.273
where: short stacking energy: -349.368
Base-Backbone interact. energy: -3.579
local terms energy: -395.285876
where:
bonds (distance) C4'-P energy: -91.642
bonds (distance) P-C4' energy: -98.614
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -64.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -807.100296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.100296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.100296 (E_RNA)
where:
Base-Base interactions energy: -497.054
where: short stacking energy: -236.290
Base-Backbone interact. energy: 3.410
local terms energy: -313.456202
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -101.011
flat angles C4'-P-C4' energy: -85.748
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -12.475
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: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1946.346348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.346348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.346348 (E_RNA)
where:
Base-Base interactions energy: -1322.411
where: short stacking energy: -588.723
Base-Backbone interact. energy: -1.974
local terms energy: -621.961593
where:
bonds (distance) C4'-P energy: -111.112
bonds (distance) P-C4' energy: -111.155
flat angles C4'-P-C4' energy: -132.274
flat angles P-C4'-P energy: -87.837
tors. eta vs tors. theta energy: -179.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1809.773422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.773422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.773422 (E_RNA)
where:
Base-Base interactions energy: -1262.936
where: short stacking energy: -545.396
Base-Backbone interact. energy: -0.244
local terms energy: -546.593589
where:
bonds (distance) C4'-P energy: -110.052
bonds (distance) P-C4' energy: -99.371
flat angles C4'-P-C4' energy: -115.301
flat angles P-C4'-P energy: -75.675
tors. eta vs tors. theta energy: -146.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1775.276949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.276949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.276949 (E_RNA)
where:
Base-Base interactions energy: -1260.261
where: short stacking energy: -521.232
Base-Backbone interact. energy: 1.365
local terms energy: -516.380552
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -92.732
flat angles C4'-P-C4' energy: -115.375
flat angles P-C4'-P energy: -70.312
tors. eta vs tors. theta energy: -138.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1742.256192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.256192 (E_RNA)
where:
Base-Base interactions energy: -1220.482
where: short stacking energy: -513.333
Base-Backbone interact. energy: -2.636
local terms energy: -519.138698
where:
bonds (distance) C4'-P energy: -86.187
bonds (distance) P-C4' energy: -95.104
flat angles C4'-P-C4' energy: -115.260
flat angles P-C4'-P energy: -85.456
tors. eta vs tors. theta energy: -137.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1646.087711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.087711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.087711 (E_RNA)
where:
Base-Base interactions energy: -1157.907
where: short stacking energy: -468.119
Base-Backbone interact. energy: -1.706
local terms energy: -486.474929
where:
bonds (distance) C4'-P energy: -101.300
bonds (distance) P-C4' energy: -91.384
flat angles C4'-P-C4' energy: -110.954
flat angles P-C4'-P energy: -57.757
tors. eta vs tors. theta energy: -125.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1573.350127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.350127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.350127 (E_RNA)
where:
Base-Base interactions energy: -1082.596
where: short stacking energy: -466.604
Base-Backbone interact. energy: -0.336
local terms energy: -490.417985
where:
bonds (distance) C4'-P energy: -91.429
bonds (distance) P-C4' energy: -101.464
flat angles C4'-P-C4' energy: -112.065
flat angles P-C4'-P energy: -69.723
tors. eta vs tors. theta energy: -115.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1365.977437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.977437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.977437 (E_RNA)
where:
Base-Base interactions energy: -932.719
where: short stacking energy: -364.883
Base-Backbone interact. energy: -1.672
local terms energy: -431.586890
where:
bonds (distance) C4'-P energy: -88.582
bonds (distance) P-C4' energy: -96.446
flat angles C4'-P-C4' energy: -97.474
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -63.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1346.075365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.075365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.075365 (E_RNA)
where:
Base-Base interactions energy: -911.111
where: short stacking energy: -378.339
Base-Backbone interact. energy: -1.994
local terms energy: -432.970676
where:
bonds (distance) C4'-P energy: -92.904
bonds (distance) P-C4' energy: -92.695
flat angles C4'-P-C4' energy: -106.701
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -85.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1184.540334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.540334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.540334 (E_RNA)
where:
Base-Base interactions energy: -773.371
where: short stacking energy: -331.644
Base-Backbone interact. energy: -3.269
local terms energy: -407.899801
where:
bonds (distance) C4'-P energy: -86.822
bonds (distance) P-C4' energy: -96.668
flat angles C4'-P-C4' energy: -95.213
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -64.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -842.609904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.609904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.609904 (E_RNA)
where:
Base-Base interactions energy: -503.392
where: short stacking energy: -233.884
Base-Backbone interact. energy: -0.663
local terms energy: -338.555037
where:
bonds (distance) C4'-P energy: -82.937
bonds (distance) P-C4' energy: -82.280
flat angles C4'-P-C4' energy: -79.208
flat angles P-C4'-P energy: -58.122
tors. eta vs tors. theta energy: -36.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1919.947980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.947980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.947980 (E_RNA)
where:
Base-Base interactions energy: -1367.857
where: short stacking energy: -567.668
Base-Backbone interact. energy: -2.965
local terms energy: -549.126886
where:
bonds (distance) C4'-P energy: -101.308
bonds (distance) P-C4' energy: -104.714
flat angles C4'-P-C4' energy: -105.434
flat angles P-C4'-P energy: -77.556
tors. eta vs tors. theta energy: -160.115
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: 118
Temperature: 0.950000
Total energy: -1829.817970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.817970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.817970 (E_RNA)
where:
Base-Base interactions energy: -1281.806
where: short stacking energy: -545.240
Base-Backbone interact. energy: -3.098
local terms energy: -544.914664
where:
bonds (distance) C4'-P energy: -94.699
bonds (distance) P-C4' energy: -106.072
flat angles C4'-P-C4' energy: -115.680
flat angles P-C4'-P energy: -82.206
tors. eta vs tors. theta energy: -146.259
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1764.682204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.682204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.682204 (E_RNA)
where:
Base-Base interactions energy: -1235.494
where: short stacking energy: -512.165
Base-Backbone interact. energy: 2.401
local terms energy: -531.589530
where:
bonds (distance) C4'-P energy: -109.929
bonds (distance) P-C4' energy: -91.899
flat angles C4'-P-C4' energy: -122.627
flat angles P-C4'-P energy: -71.654
tors. eta vs tors. theta energy: -135.481
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1716.303616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.303616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.303616 (E_RNA)
where:
Base-Base interactions energy: -1203.629
where: short stacking energy: -489.140
Base-Backbone interact. energy: -2.945
local terms energy: -509.729588
where:
bonds (distance) C4'-P energy: -96.345
bonds (distance) P-C4' energy: -90.280
flat angles C4'-P-C4' energy: -114.301
flat angles P-C4'-P energy: -72.642
tors. eta vs tors. theta energy: -136.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1688.744643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.744643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.744643 (E_RNA)
where:
Base-Base interactions energy: -1180.073
where: short stacking energy: -502.066
Base-Backbone interact. energy: -0.634
local terms energy: -508.037180
where:
bonds (distance) C4'-P energy: -93.520
bonds (distance) P-C4' energy: -103.370
flat angles C4'-P-C4' energy: -117.102
flat angles P-C4'-P energy: -63.411
tors. eta vs tors. theta energy: -130.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1583.317680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.317680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.317680 (E_RNA)
where:
Base-Base interactions energy: -1109.522
where: short stacking energy: -458.731
Base-Backbone interact. energy: -0.799
local terms energy: -472.996637
where:
bonds (distance) C4'-P energy: -87.262
bonds (distance) P-C4' energy: -91.329
flat angles C4'-P-C4' energy: -107.997
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -111.620
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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1436.886552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.886552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.886552 (E_RNA)
where:
Base-Base interactions energy: -1017.909
where: short stacking energy: -414.688
Base-Backbone interact. energy: -1.988
local terms energy: -416.989499
where:
bonds (distance) C4'-P energy: -74.739
bonds (distance) P-C4' energy: -86.597
flat angles C4'-P-C4' energy: -103.003
flat angles P-C4'-P energy: -52.525
tors. eta vs tors. theta energy: -100.126
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: 118
Temperature: 1.250000
Total energy: -1350.064304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.064304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.064304 (E_RNA)
where:
Base-Base interactions energy: -918.923
where: short stacking energy: -376.181
Base-Backbone interact. energy: -2.710
local terms energy: -428.431835
where:
bonds (distance) C4'-P energy: -82.270
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -99.856
flat angles P-C4'-P energy: -76.738
tors. eta vs tors. theta energy: -81.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1185.398397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.398397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.398397 (E_RNA)
where:
Base-Base interactions energy: -806.076
where: short stacking energy: -364.471
Base-Backbone interact. energy: 2.064
local terms energy: -381.386724
where:
bonds (distance) C4'-P energy: -67.547
bonds (distance) P-C4' energy: -94.018
flat angles C4'-P-C4' energy: -86.464
flat angles P-C4'-P energy: -61.200
tors. eta vs tors. theta energy: -72.158
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: 118
Temperature: 1.350000
Total energy: -799.832567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.832567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.832567 (E_RNA)
where:
Base-Base interactions energy: -483.930
where: short stacking energy: -252.276
Base-Backbone interact. energy: -3.861
local terms energy: -312.041081
where:
bonds (distance) C4'-P energy: -82.212
bonds (distance) P-C4' energy: -75.939
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: -30.548
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: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1919.318250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.318250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.318250 (E_RNA)
where:
Base-Base interactions energy: -1316.671
where: short stacking energy: -555.487
Base-Backbone interact. energy: -5.036
local terms energy: -597.611190
where:
bonds (distance) C4'-P energy: -115.341
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -122.587
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -159.024
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: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1817.210636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.210636 (E_RNA)
where:
Base-Base interactions energy: -1244.567
where: short stacking energy: -537.562
Base-Backbone interact. energy: -2.102
local terms energy: -570.541695
where:
bonds (distance) C4'-P energy: -102.678
bonds (distance) P-C4' energy: -104.150
flat angles C4'-P-C4' energy: -127.523
flat angles P-C4'-P energy: -84.943
tors. eta vs tors. theta energy: -151.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1754.768975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.768975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.768975 (E_RNA)
where:
Base-Base interactions energy: -1225.972
where: short stacking energy: -511.818
Base-Backbone interact. energy: -0.983
local terms energy: -527.813501
where:
bonds (distance) C4'-P energy: -95.660
bonds (distance) P-C4' energy: -95.161
flat angles C4'-P-C4' energy: -124.598
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -136.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1752.987641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.987641 (E_RNA)
where:
Base-Base interactions energy: -1225.314
where: short stacking energy: -507.256
Base-Backbone interact. energy: -4.994
local terms energy: -522.679909
where:
bonds (distance) C4'-P energy: -103.824
bonds (distance) P-C4' energy: -93.036
flat angles C4'-P-C4' energy: -118.702
flat angles P-C4'-P energy: -68.381
tors. eta vs tors. theta energy: -138.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1634.552323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.552323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.552323 (E_RNA)
where:
Base-Base interactions energy: -1145.686
where: short stacking energy: -479.585
Base-Backbone interact. energy: 0.610
local terms energy: -489.476456
where:
bonds (distance) C4'-P energy: -89.369
bonds (distance) P-C4' energy: -98.891
flat angles C4'-P-C4' energy: -110.722
flat angles P-C4'-P energy: -64.486
tors. eta vs tors. theta energy: -126.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1582.009633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.009633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.009633 (E_RNA)
where:
Base-Base interactions energy: -1094.742
where: short stacking energy: -455.376
Base-Backbone interact. energy: -0.169
local terms energy: -487.098758
where:
bonds (distance) C4'-P energy: -91.673
bonds (distance) P-C4' energy: -98.395
flat angles C4'-P-C4' energy: -112.460
flat angles P-C4'-P energy: -70.536
tors. eta vs tors. theta energy: -114.036
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1404.845149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.845149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.845149 (E_RNA)
where:
Base-Base interactions energy: -957.820
where: short stacking energy: -414.302
Base-Backbone interact. energy: 0.158
local terms energy: -447.183026
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -85.729
flat angles C4'-P-C4' energy: -100.341
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: -107.089
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1313.620917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.620917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.620917 (E_RNA)
where:
Base-Base interactions energy: -898.852
where: short stacking energy: -386.773
Base-Backbone interact. energy: 0.913
local terms energy: -415.681759
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -87.698
flat angles C4'-P-C4' energy: -94.332
flat angles P-C4'-P energy: -50.938
tors. eta vs tors. theta energy: -93.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1167.751609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.751609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.751609 (E_RNA)
where:
Base-Base interactions energy: -779.034
where: short stacking energy: -324.603
Base-Backbone interact. energy: 5.106
local terms energy: -393.823699
where:
bonds (distance) C4'-P energy: -89.971
bonds (distance) P-C4' energy: -68.657
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -71.917
tors. eta vs tors. theta energy: -71.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -794.859491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.859491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.859491 (E_RNA)
where:
Base-Base interactions energy: -465.187
where: short stacking energy: -226.337
Base-Backbone interact. energy: 0.549
local terms energy: -330.220735
where:
bonds (distance) C4'-P energy: -73.948
bonds (distance) P-C4' energy: -97.279
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -20.746
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1915.346557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.346557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.346557 (E_RNA)
where:
Base-Base interactions energy: -1326.431
where: short stacking energy: -550.239
Base-Backbone interact. energy: -6.762
local terms energy: -582.153004
where:
bonds (distance) C4'-P energy: -107.906
bonds (distance) P-C4' energy: -99.250
flat angles C4'-P-C4' energy: -119.904
flat angles P-C4'-P energy: -90.000
tors. eta vs tors. theta energy: -165.094
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: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1842.506612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.506612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.506612 (E_RNA)
where:
Base-Base interactions energy: -1281.352
where: short stacking energy: -553.421
Base-Backbone interact. energy: -0.569
local terms energy: -560.584813
where:
bonds (distance) C4'-P energy: -103.550
bonds (distance) P-C4' energy: -107.902
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -75.412
tors. eta vs tors. theta energy: -156.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1767.258705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.258705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.258705 (E_RNA)
where:
Base-Base interactions energy: -1220.935
where: short stacking energy: -507.470
Base-Backbone interact. energy: -2.478
local terms energy: -543.845052
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -118.796
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -72.573
tors. eta vs tors. theta energy: -137.442
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: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1726.774660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.774660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.774660 (E_RNA)
where:
Base-Base interactions energy: -1205.471
where: short stacking energy: -523.299
Base-Backbone interact. energy: -0.946
local terms energy: -520.358087
where:
bonds (distance) C4'-P energy: -86.751
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -115.075
flat angles P-C4'-P energy: -74.661
tors. eta vs tors. theta energy: -136.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1642.960615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.960615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.960615 (E_RNA)
where:
Base-Base interactions energy: -1141.686
where: short stacking energy: -486.631
Base-Backbone interact. energy: -1.555
local terms energy: -499.719787
where:
bonds (distance) C4'-P energy: -98.153
bonds (distance) P-C4' energy: -105.966
flat angles C4'-P-C4' energy: -110.857
flat angles P-C4'-P energy: -66.037
tors. eta vs tors. theta energy: -118.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1626.868704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.868704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.868704 (E_RNA)
where:
Base-Base interactions energy: -1134.069
where: short stacking energy: -454.824
Base-Backbone interact. energy: -1.468
local terms energy: -491.331421
where:
bonds (distance) C4'-P energy: -99.924
bonds (distance) P-C4' energy: -92.344
flat angles C4'-P-C4' energy: -116.430
flat angles P-C4'-P energy: -71.269
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: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1405.160875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.160875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.160875 (E_RNA)
where:
Base-Base interactions energy: -952.028
where: short stacking energy: -402.329
Base-Backbone interact. energy: -2.739
local terms energy: -450.394223
where:
bonds (distance) C4'-P energy: -95.326
bonds (distance) P-C4' energy: -89.232
flat angles C4'-P-C4' energy: -97.267
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -106.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1301.030821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.030821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.030821 (E_RNA)
where:
Base-Base interactions energy: -904.945
where: short stacking energy: -368.340
Base-Backbone interact. energy: -2.973
local terms energy: -393.112448
where:
bonds (distance) C4'-P energy: -92.700
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -96.066
flat angles P-C4'-P energy: -55.733
tors. eta vs tors. theta energy: -75.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1102.680877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.680877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.680877 (E_RNA)
where:
Base-Base interactions energy: -739.317
where: short stacking energy: -321.765
Base-Backbone interact. energy: -1.606
local terms energy: -361.758747
where:
bonds (distance) C4'-P energy: -88.793
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -93.064
flat angles P-C4'-P energy: -53.533
tors. eta vs tors. theta energy: -54.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -788.833849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.833849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.833849 (E_RNA)
where:
Base-Base interactions energy: -486.835
where: short stacking energy: -237.014
Base-Backbone interact. energy: 4.725
local terms energy: -306.724448
where:
bonds (distance) C4'-P energy: -79.380
bonds (distance) P-C4' energy: -80.408
flat angles C4'-P-C4' energy: -77.754
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -30.222
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: 121
Temperature: 0.900000
Total energy: -1920.898947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.898947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.898947 (E_RNA)
where:
Base-Base interactions energy: -1336.404
where: short stacking energy: -544.075
Base-Backbone interact. energy: -3.581
local terms energy: -580.913174
where:
bonds (distance) C4'-P energy: -98.876
bonds (distance) P-C4' energy: -112.343
flat angles C4'-P-C4' energy: -129.084
flat angles P-C4'-P energy: -73.414
tors. eta vs tors. theta energy: -167.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1818.778573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.778573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.778573 (E_RNA)
where:
Base-Base interactions energy: -1283.774
where: short stacking energy: -551.070
Base-Backbone interact. energy: -3.568
local terms energy: -531.436978
where:
bonds (distance) C4'-P energy: -83.614
bonds (distance) P-C4' energy: -101.987
flat angles C4'-P-C4' energy: -128.858
flat angles P-C4'-P energy: -65.655
tors. eta vs tors. theta energy: -151.323
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: 121
Temperature: 1.000000
Total energy: -1777.126724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.126724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.126724 (E_RNA)
where:
Base-Base interactions energy: -1234.081
where: short stacking energy: -498.027
Base-Backbone interact. energy: -2.516
local terms energy: -540.530203
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -104.802
flat angles C4'-P-C4' energy: -119.005
flat angles P-C4'-P energy: -78.849
tors. eta vs tors. theta energy: -147.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1720.837385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.837385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.837385 (E_RNA)
where:
Base-Base interactions energy: -1189.145
where: short stacking energy: -507.195
Base-Backbone interact. energy: -1.027
local terms energy: -530.665790
where:
bonds (distance) C4'-P energy: -95.694
bonds (distance) P-C4' energy: -97.667
flat angles C4'-P-C4' energy: -115.971
flat angles P-C4'-P energy: -84.464
tors. eta vs tors. theta energy: -136.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1669.705322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.705322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.705322 (E_RNA)
where:
Base-Base interactions energy: -1161.233
where: short stacking energy: -493.671
Base-Backbone interact. energy: -3.072
local terms energy: -505.400000
where:
bonds (distance) C4'-P energy: -86.368
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -114.134
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -133.446
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: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1461.034057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.034057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.034057 (E_RNA)
where:
Base-Base interactions energy: -990.712
where: short stacking energy: -420.535
Base-Backbone interact. energy: -2.147
local terms energy: -468.174938
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -112.907
flat angles C4'-P-C4' energy: -102.753
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: -105.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1546.855771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.855771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.855771 (E_RNA)
where:
Base-Base interactions energy: -1105.174
where: short stacking energy: -430.100
Base-Backbone interact. energy: 6.088
local terms energy: -447.770090
where:
bonds (distance) C4'-P energy: -80.553
bonds (distance) P-C4' energy: -94.106
flat angles C4'-P-C4' energy: -96.313
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -107.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1375.812781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.812781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.812781 (E_RNA)
where:
Base-Base interactions energy: -969.146
where: short stacking energy: -419.498
Base-Backbone interact. energy: -0.089
local terms energy: -406.577788
where:
bonds (distance) C4'-P energy: -82.812
bonds (distance) P-C4' energy: -80.050
flat angles C4'-P-C4' energy: -102.250
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -98.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1120.603154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.603154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.603154 (E_RNA)
where:
Base-Base interactions energy: -764.760
where: short stacking energy: -349.431
Base-Backbone interact. energy: -1.485
local terms energy: -354.358719
where:
bonds (distance) C4'-P energy: -83.557
bonds (distance) P-C4' energy: -64.246
flat angles C4'-P-C4' energy: -87.445
flat angles P-C4'-P energy: -62.030
tors. eta vs tors. theta energy: -57.081
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: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -819.605192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.605192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.605192 (E_RNA)
where:
Base-Base interactions energy: -503.992
where: short stacking energy: -242.683
Base-Backbone interact. energy: 0.756
local terms energy: -316.369269
where:
bonds (distance) C4'-P energy: -73.352
bonds (distance) P-C4' energy: -98.332
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -53.745
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1897.122853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.122853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.122853 (E_RNA)
where:
Base-Base interactions energy: -1335.468
where: short stacking energy: -562.731
Base-Backbone interact. energy: -3.830
local terms energy: -557.824938
where:
bonds (distance) C4'-P energy: -111.428
bonds (distance) P-C4' energy: -105.270
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -156.889
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: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1825.187942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.187942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.187942 (E_RNA)
where:
Base-Base interactions energy: -1269.058
where: short stacking energy: -545.491
Base-Backbone interact. energy: -2.870
local terms energy: -553.259627
where:
bonds (distance) C4'-P energy: -98.155
bonds (distance) P-C4' energy: -97.792
flat angles C4'-P-C4' energy: -120.398
flat angles P-C4'-P energy: -90.245
tors. eta vs tors. theta energy: -146.669
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1755.797013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.797013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.797013 (E_RNA)
where:
Base-Base interactions energy: -1209.847
where: short stacking energy: -514.883
Base-Backbone interact. energy: -0.393
local terms energy: -545.556211
where:
bonds (distance) C4'-P energy: -110.824
bonds (distance) P-C4' energy: -93.295
flat angles C4'-P-C4' energy: -111.623
flat angles P-C4'-P energy: -82.487
tors. eta vs tors. theta energy: -147.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1748.461868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.461868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.461868 (E_RNA)
where:
Base-Base interactions energy: -1225.679
where: short stacking energy: -523.815
Base-Backbone interact. energy: -0.592
local terms energy: -522.190136
where:
bonds (distance) C4'-P energy: -81.973
bonds (distance) P-C4' energy: -99.643
flat angles C4'-P-C4' energy: -116.890
flat angles P-C4'-P energy: -77.314
tors. eta vs tors. theta energy: -146.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1664.439053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.439053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.439053 (E_RNA)
where:
Base-Base interactions energy: -1181.401
where: short stacking energy: -516.613
Base-Backbone interact. energy: 3.464
local terms energy: -486.501880
where:
bonds (distance) C4'-P energy: -94.294
bonds (distance) P-C4' energy: -80.201
flat angles C4'-P-C4' energy: -110.909
flat angles P-C4'-P energy: -67.101
tors. eta vs tors. theta energy: -133.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1418.010889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.010889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.010889 (E_RNA)
where:
Base-Base interactions energy: -964.395
where: short stacking energy: -428.722
Base-Backbone interact. energy: 0.157
local terms energy: -453.772947
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -91.723
flat angles C4'-P-C4' energy: -101.395
flat angles P-C4'-P energy: -50.275
tors. eta vs tors. theta energy: -111.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1487.192712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.192712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.192712 (E_RNA)
where:
Base-Base interactions energy: -1016.228
where: short stacking energy: -438.142
Base-Backbone interact. energy: -2.930
local terms energy: -468.033942
where:
bonds (distance) C4'-P energy: -86.626
bonds (distance) P-C4' energy: -80.695
flat angles C4'-P-C4' energy: -111.890
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -114.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1290.123329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.123329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.123329 (E_RNA)
where:
Base-Base interactions energy: -892.909
where: short stacking energy: -386.690
Base-Backbone interact. energy: -0.287
local terms energy: -396.927043
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -96.629
flat angles C4'-P-C4' energy: -95.785
flat angles P-C4'-P energy: -60.531
tors. eta vs tors. theta energy: -76.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1097.449895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.449895 (E_RNA)
where:
Base-Base interactions energy: -732.309
where: short stacking energy: -343.879
Base-Backbone interact. energy: 2.588
local terms energy: -367.728530
where:
bonds (distance) C4'-P energy: -86.789
bonds (distance) P-C4' energy: -92.794
flat angles C4'-P-C4' energy: -80.189
flat angles P-C4'-P energy: -46.277
tors. eta vs tors. theta energy: -61.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -816.197229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.197229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.197229 (E_RNA)
where:
Base-Base interactions energy: -490.477
where: short stacking energy: -241.036
Base-Backbone interact. energy: -2.143
local terms energy: -323.576891
where:
bonds (distance) C4'-P energy: -80.846
bonds (distance) P-C4' energy: -95.688
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1940.559612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.559612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.559612 (E_RNA)
where:
Base-Base interactions energy: -1356.298
where: short stacking energy: -562.736
Base-Backbone interact. energy: -2.100
local terms energy: -582.162113
where:
bonds (distance) C4'-P energy: -97.904
bonds (distance) P-C4' energy: -106.966
flat angles C4'-P-C4' energy: -127.635
flat angles P-C4'-P energy: -81.426
tors. eta vs tors. theta energy: -168.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1821.899403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.899403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.899403 (E_RNA)
where:
Base-Base interactions energy: -1257.218
where: short stacking energy: -528.338
Base-Backbone interact. energy: -2.404
local terms energy: -562.276995
where:
bonds (distance) C4'-P energy: -104.756
bonds (distance) P-C4' energy: -104.302
flat angles C4'-P-C4' energy: -121.588
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -148.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1765.095490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.095490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.095490 (E_RNA)
where:
Base-Base interactions energy: -1208.902
where: short stacking energy: -524.943
Base-Backbone interact. energy: -1.294
local terms energy: -554.899719
where:
bonds (distance) C4'-P energy: -111.732
bonds (distance) P-C4' energy: -104.726
flat angles C4'-P-C4' energy: -118.226
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -141.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1734.312044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.312044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.312044 (E_RNA)
where:
Base-Base interactions energy: -1210.168
where: short stacking energy: -524.438
Base-Backbone interact. energy: -0.296
local terms energy: -523.848125
where:
bonds (distance) C4'-P energy: -103.590
bonds (distance) P-C4' energy: -88.321
flat angles C4'-P-C4' energy: -112.915
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -139.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1654.200704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.200704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.200704 (E_RNA)
where:
Base-Base interactions energy: -1163.822
where: short stacking energy: -470.179
Base-Backbone interact. energy: -1.718
local terms energy: -488.660183
where:
bonds (distance) C4'-P energy: -99.369
bonds (distance) P-C4' energy: -89.649
flat angles C4'-P-C4' energy: -116.390
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -128.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1527.920798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.920798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.920798 (E_RNA)
where:
Base-Base interactions energy: -1054.646
where: short stacking energy: -429.600
Base-Backbone interact. energy: 0.400
local terms energy: -473.674802
where:
bonds (distance) C4'-P energy: -88.752
bonds (distance) P-C4' energy: -106.007
flat angles C4'-P-C4' energy: -107.373
flat angles P-C4'-P energy: -68.699
tors. eta vs tors. theta energy: -102.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1377.778185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.778185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.778185 (E_RNA)
where:
Base-Base interactions energy: -944.484
where: short stacking energy: -415.924
Base-Backbone interact. energy: 1.983
local terms energy: -435.277639
where:
bonds (distance) C4'-P energy: -85.222
bonds (distance) P-C4' energy: -95.230
flat angles C4'-P-C4' energy: -86.260
flat angles P-C4'-P energy: -66.336
tors. eta vs tors. theta energy: -102.230
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: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1301.248801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.248801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.248801 (E_RNA)
where:
Base-Base interactions energy: -886.800
where: short stacking energy: -374.178
Base-Backbone interact. energy: 0.606
local terms energy: -415.054694
where:
bonds (distance) C4'-P energy: -81.542
bonds (distance) P-C4' energy: -97.547
flat angles C4'-P-C4' energy: -92.743
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -91.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1122.795605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.795605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.795605 (E_RNA)
where:
Base-Base interactions energy: -736.012
where: short stacking energy: -323.873
Base-Backbone interact. energy: 4.356
local terms energy: -391.139576
where:
bonds (distance) C4'-P energy: -91.574
bonds (distance) P-C4' energy: -82.386
flat angles C4'-P-C4' energy: -92.144
flat angles P-C4'-P energy: -63.167
tors. eta vs tors. theta energy: -61.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -834.943024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.943024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.943024 (E_RNA)
where:
Base-Base interactions energy: -508.374
where: short stacking energy: -268.182
Base-Backbone interact. energy: 2.619
local terms energy: -329.187530
where:
bonds (distance) C4'-P energy: -74.911
bonds (distance) P-C4' energy: -86.349
flat angles C4'-P-C4' energy: -69.997
flat angles P-C4'-P energy: -58.484
tors. eta vs tors. theta energy: -39.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1947.686129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.686129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.686129 (E_RNA)
where:
Base-Base interactions energy: -1374.671
where: short stacking energy: -582.449
Base-Backbone interact. energy: -1.837
local terms energy: -571.178177
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -104.767
flat angles C4'-P-C4' energy: -116.724
flat angles P-C4'-P energy: -80.233
tors. eta vs tors. theta energy: -169.321
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: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1818.799277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.799277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.799277 (E_RNA)
where:
Base-Base interactions energy: -1257.745
where: short stacking energy: -525.124
Base-Backbone interact. energy: -2.922
local terms energy: -558.132605
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -111.423
flat angles C4'-P-C4' energy: -123.898
flat angles P-C4'-P energy: -75.439
tors. eta vs tors. theta energy: -139.171
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1762.336310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.336310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.336310 (E_RNA)
where:
Base-Base interactions energy: -1241.848
where: short stacking energy: -527.510
Base-Backbone interact. energy: 0.506
local terms energy: -520.993680
where:
bonds (distance) C4'-P energy: -90.442
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -117.314
flat angles P-C4'-P energy: -71.164
tors. eta vs tors. theta energy: -141.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1720.404585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.404585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.404585 (E_RNA)
where:
Base-Base interactions energy: -1185.338
where: short stacking energy: -507.687
Base-Backbone interact. energy: 1.047
local terms energy: -536.113190
where:
bonds (distance) C4'-P energy: -101.401
bonds (distance) P-C4' energy: -100.456
flat angles C4'-P-C4' energy: -119.462
flat angles P-C4'-P energy: -81.552
tors. eta vs tors. theta energy: -133.242
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: 124
Temperature: 1.100000
Total energy: -1668.607714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.607714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.607714 (E_RNA)
where:
Base-Base interactions energy: -1133.318
where: short stacking energy: -449.366
Base-Backbone interact. energy: -1.983
local terms energy: -533.306694
where:
bonds (distance) C4'-P energy: -93.012
bonds (distance) P-C4' energy: -103.418
flat angles C4'-P-C4' energy: -122.996
flat angles P-C4'-P energy: -85.788
tors. eta vs tors. theta energy: -128.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1575.530921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.530921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.530921 (E_RNA)
where:
Base-Base interactions energy: -1089.879
where: short stacking energy: -474.248
Base-Backbone interact. energy: -2.494
local terms energy: -483.158345
where:
bonds (distance) C4'-P energy: -88.328
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -114.683
flat angles P-C4'-P energy: -63.831
tors. eta vs tors. theta energy: -116.411
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: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1381.106627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.106627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.106627 (E_RNA)
where:
Base-Base interactions energy: -961.962
where: short stacking energy: -412.613
Base-Backbone interact. energy: 1.327
local terms energy: -420.471338
where:
bonds (distance) C4'-P energy: -68.530
bonds (distance) P-C4' energy: -93.743
flat angles C4'-P-C4' energy: -105.376
flat angles P-C4'-P energy: -61.966
tors. eta vs tors. theta energy: -90.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1218.295959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.295959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.295959 (E_RNA)
where:
Base-Base interactions energy: -812.658
where: short stacking energy: -353.209
Base-Backbone interact. energy: -2.500
local terms energy: -403.138659
where:
bonds (distance) C4'-P energy: -73.417
bonds (distance) P-C4' energy: -103.194
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -73.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1126.400869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.400869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.400869 (E_RNA)
where:
Base-Base interactions energy: -763.951
where: short stacking energy: -328.142
Base-Backbone interact. energy: -2.396
local terms energy: -360.054363
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -84.766
flat angles C4'-P-C4' energy: -83.378
flat angles P-C4'-P energy: -51.008
tors. eta vs tors. theta energy: -58.675
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -884.526634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.526634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.526634 (E_RNA)
where:
Base-Base interactions energy: -569.517
where: short stacking energy: -263.804
Base-Backbone interact. energy: -1.697
local terms energy: -313.312738
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -72.941
flat angles C4'-P-C4' energy: -103.152
flat angles P-C4'-P energy: -48.153
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1906.971508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.971508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.971508 (E_RNA)
where:
Base-Base interactions energy: -1337.306
where: short stacking energy: -543.734
Base-Backbone interact. energy: 4.297
local terms energy: -573.962172
where:
bonds (distance) C4'-P energy: -101.726
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -132.511
flat angles P-C4'-P energy: -74.280
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: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1829.694244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.694244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.694244 (E_RNA)
where:
Base-Base interactions energy: -1285.932
where: short stacking energy: -540.894
Base-Backbone interact. energy: 2.411
local terms energy: -546.172582
where:
bonds (distance) C4'-P energy: -102.451
bonds (distance) P-C4' energy: -101.698
flat angles C4'-P-C4' energy: -113.313
flat angles P-C4'-P energy: -74.108
tors. eta vs tors. theta energy: -154.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1784.246664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.246664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.246664 (E_RNA)
where:
Base-Base interactions energy: -1243.627
where: short stacking energy: -531.932
Base-Backbone interact. energy: -1.371
local terms energy: -539.249233
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -108.020
flat angles C4'-P-C4' energy: -107.472
flat angles P-C4'-P energy: -76.639
tors. eta vs tors. theta energy: -144.678
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: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1750.320887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.320887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.320887 (E_RNA)
where:
Base-Base interactions energy: -1237.441
where: short stacking energy: -512.790
Base-Backbone interact. energy: -1.211
local terms energy: -511.669252
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -100.763
flat angles C4'-P-C4' energy: -121.426
flat angles P-C4'-P energy: -69.761
tors. eta vs tors. theta energy: -140.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1682.371643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.371643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.371643 (E_RNA)
where:
Base-Base interactions energy: -1174.460
where: short stacking energy: -485.406
Base-Backbone interact. energy: -1.714
local terms energy: -506.197349
where:
bonds (distance) C4'-P energy: -95.332
bonds (distance) P-C4' energy: -91.160
flat angles C4'-P-C4' energy: -106.349
flat angles P-C4'-P energy: -77.807
tors. eta vs tors. theta energy: -135.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1572.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.205603 (E_RNA)
where:
Base-Base interactions energy: -1085.170
where: short stacking energy: -451.949
Base-Backbone interact. energy: -1.714
local terms energy: -485.321095
where:
bonds (distance) C4'-P energy: -92.048
bonds (distance) P-C4' energy: -105.158
flat angles C4'-P-C4' energy: -113.679
flat angles P-C4'-P energy: -66.857
tors. eta vs tors. theta energy: -107.579
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: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1362.709174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.709174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.709174 (E_RNA)
where:
Base-Base interactions energy: -938.892
where: short stacking energy: -385.625
Base-Backbone interact. energy: 2.284
local terms energy: -426.100464
where:
bonds (distance) C4'-P energy: -81.820
bonds (distance) P-C4' energy: -81.232
flat angles C4'-P-C4' energy: -109.423
flat angles P-C4'-P energy: -66.133
tors. eta vs tors. theta energy: -87.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1239.081289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.081289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.081289 (E_RNA)
where:
Base-Base interactions energy: -810.435
where: short stacking energy: -358.591
Base-Backbone interact. energy: 1.027
local terms energy: -429.673562
where:
bonds (distance) C4'-P energy: -87.815
bonds (distance) P-C4' energy: -92.139
flat angles C4'-P-C4' energy: -106.219
flat angles P-C4'-P energy: -68.111
tors. eta vs tors. theta energy: -75.389
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: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1142.070130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.070130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.070130 (E_RNA)
where:
Base-Base interactions energy: -736.059
where: short stacking energy: -309.587
Base-Backbone interact. energy: -0.175
local terms energy: -405.836783
where:
bonds (distance) C4'-P energy: -90.044
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -87.636
flat angles P-C4'-P energy: -68.142
tors. eta vs tors. theta energy: -67.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -894.788748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.788748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.788748 (E_RNA)
where:
Base-Base interactions energy: -556.107
where: short stacking energy: -236.230
Base-Backbone interact. energy: 1.360
local terms energy: -340.042085
where:
bonds (distance) C4'-P energy: -83.726
bonds (distance) P-C4' energy: -103.699
flat angles C4'-P-C4' energy: -84.359
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1911.845401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.845401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.845401 (E_RNA)
where:
Base-Base interactions energy: -1335.753
where: short stacking energy: -571.537
Base-Backbone interact. energy: -1.875
local terms energy: -574.217530
where:
bonds (distance) C4'-P energy: -97.037
bonds (distance) P-C4' energy: -113.035
flat angles C4'-P-C4' energy: -125.438
flat angles P-C4'-P energy: -78.390
tors. eta vs tors. theta energy: -160.318
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: 126
Temperature: 0.950000
Total energy: -1806.882938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.882938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.882938 (E_RNA)
where:
Base-Base interactions energy: -1252.708
where: short stacking energy: -541.660
Base-Backbone interact. energy: -1.804
local terms energy: -552.371071
where:
bonds (distance) C4'-P energy: -120.356
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -118.933
flat angles P-C4'-P energy: -67.692
tors. eta vs tors. theta energy: -149.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1742.568096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.568096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.568096 (E_RNA)
where:
Base-Base interactions energy: -1226.479
where: short stacking energy: -519.065
Base-Backbone interact. energy: -2.285
local terms energy: -513.804424
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -102.255
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -71.807
tors. eta vs tors. theta energy: -142.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1777.211092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.211092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.211092 (E_RNA)
where:
Base-Base interactions energy: -1246.013
where: short stacking energy: -528.815
Base-Backbone interact. energy: -0.813
local terms energy: -530.385169
where:
bonds (distance) C4'-P energy: -96.777
bonds (distance) P-C4' energy: -98.891
flat angles C4'-P-C4' energy: -114.882
flat angles P-C4'-P energy: -71.877
tors. eta vs tors. theta energy: -147.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1687.355841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.355841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.355841 (E_RNA)
where:
Base-Base interactions energy: -1192.835
where: short stacking energy: -484.902
Base-Backbone interact. energy: 2.560
local terms energy: -497.080818
where:
bonds (distance) C4'-P energy: -95.786
bonds (distance) P-C4' energy: -94.027
flat angles C4'-P-C4' energy: -109.390
flat angles P-C4'-P energy: -78.983
tors. eta vs tors. theta energy: -118.894
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: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1578.561904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.561904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.561904 (E_RNA)
where:
Base-Base interactions energy: -1103.410
where: short stacking energy: -447.902
Base-Backbone interact. energy: -1.909
local terms energy: -473.243558
where:
bonds (distance) C4'-P energy: -91.072
bonds (distance) P-C4' energy: -91.440
flat angles C4'-P-C4' energy: -96.311
flat angles P-C4'-P energy: -85.439
tors. eta vs tors. theta energy: -108.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1373.043969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.043969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.043969 (E_RNA)
where:
Base-Base interactions energy: -959.609
where: short stacking energy: -392.441
Base-Backbone interact. energy: -1.742
local terms energy: -411.693040
where:
bonds (distance) C4'-P energy: -80.515
bonds (distance) P-C4' energy: -89.252
flat angles C4'-P-C4' energy: -101.128
flat angles P-C4'-P energy: -53.716
tors. eta vs tors. theta energy: -87.082
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1284.027884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.027884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.027884 (E_RNA)
where:
Base-Base interactions energy: -860.669
where: short stacking energy: -367.095
Base-Backbone interact. energy: -2.008
local terms energy: -421.351468
where:
bonds (distance) C4'-P energy: -92.509
bonds (distance) P-C4' energy: -98.169
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -58.486
tors. eta vs tors. theta energy: -87.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1144.085601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.085601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.085601 (E_RNA)
where:
Base-Base interactions energy: -764.724
where: short stacking energy: -335.658
Base-Backbone interact. energy: -0.723
local terms energy: -378.638606
where:
bonds (distance) C4'-P energy: -78.754
bonds (distance) P-C4' energy: -95.826
flat angles C4'-P-C4' energy: -93.433
flat angles P-C4'-P energy: -49.764
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: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -893.279105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.279105 (E_RNA)
where:
Base-Base interactions energy: -571.807
where: short stacking energy: -246.703
Base-Backbone interact. energy: -0.825
local terms energy: -320.646915
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -94.848
flat angles C4'-P-C4' energy: -74.983
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1885.788487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.788487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.788487 (E_RNA)
where:
Base-Base interactions energy: -1321.987
where: short stacking energy: -558.096
Base-Backbone interact. energy: -2.892
local terms energy: -560.909144
where:
bonds (distance) C4'-P energy: -110.357
bonds (distance) P-C4' energy: -104.502
flat angles C4'-P-C4' energy: -119.339
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -149.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1796.510600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.510600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.510600 (E_RNA)
where:
Base-Base interactions energy: -1264.206
where: short stacking energy: -536.369
Base-Backbone interact. energy: -1.401
local terms energy: -530.903402
where:
bonds (distance) C4'-P energy: -97.564
bonds (distance) P-C4' energy: -105.614
flat angles C4'-P-C4' energy: -117.389
flat angles P-C4'-P energy: -72.869
tors. eta vs tors. theta energy: -137.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1759.566277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.566277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.566277 (E_RNA)
where:
Base-Base interactions energy: -1245.195
where: short stacking energy: -498.156
Base-Backbone interact. energy: -0.804
local terms energy: -513.566936
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -107.397
flat angles C4'-P-C4' energy: -104.586
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -139.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1723.961186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.961186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.961186 (E_RNA)
where:
Base-Base interactions energy: -1204.635
where: short stacking energy: -495.214
Base-Backbone interact. energy: -3.485
local terms energy: -515.841721
where:
bonds (distance) C4'-P energy: -89.297
bonds (distance) P-C4' energy: -100.595
flat angles C4'-P-C4' energy: -105.747
flat angles P-C4'-P energy: -86.665
tors. eta vs tors. theta energy: -133.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1657.237087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.237087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.237087 (E_RNA)
where:
Base-Base interactions energy: -1180.396
where: short stacking energy: -473.721
Base-Backbone interact. energy: -3.874
local terms energy: -472.966134
where:
bonds (distance) C4'-P energy: -85.388
bonds (distance) P-C4' energy: -81.989
flat angles C4'-P-C4' energy: -116.470
flat angles P-C4'-P energy: -73.040
tors. eta vs tors. theta energy: -116.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1577.073168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.073168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.073168 (E_RNA)
where:
Base-Base interactions energy: -1085.613
where: short stacking energy: -456.032
Base-Backbone interact. energy: 3.211
local terms energy: -494.671327
where:
bonds (distance) C4'-P energy: -100.599
bonds (distance) P-C4' energy: -76.170
flat angles C4'-P-C4' energy: -113.330
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -134.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1375.308802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.308802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.308802 (E_RNA)
where:
Base-Base interactions energy: -932.539
where: short stacking energy: -400.564
Base-Backbone interact. energy: -2.059
local terms energy: -440.711482
where:
bonds (distance) C4'-P energy: -82.826
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -65.686
tors. eta vs tors. theta energy: -80.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1239.643258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.643258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.643258 (E_RNA)
where:
Base-Base interactions energy: -814.852
where: short stacking energy: -353.218
Base-Backbone interact. energy: 0.134
local terms energy: -424.925680
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -88.179
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -79.790
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: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1097.520905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.520905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.520905 (E_RNA)
where:
Base-Base interactions energy: -734.270
where: short stacking energy: -313.197
Base-Backbone interact. energy: -2.345
local terms energy: -360.905893
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -77.870
flat angles C4'-P-C4' energy: -86.545
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -65.471
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -866.340151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.340151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.340151 (E_RNA)
where:
Base-Base interactions energy: -546.013
where: short stacking energy: -277.332
Base-Backbone interact. energy: 0.120
local terms energy: -320.446951
where:
bonds (distance) C4'-P energy: -79.661
bonds (distance) P-C4' energy: -84.927
flat angles C4'-P-C4' energy: -69.898
flat angles P-C4'-P energy: -53.655
tors. eta vs tors. theta energy: -32.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1902.215719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.215719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.215719 (E_RNA)
where:
Base-Base interactions energy: -1318.223
where: short stacking energy: -549.721
Base-Backbone interact. energy: -0.521
local terms energy: -583.471956
where:
bonds (distance) C4'-P energy: -104.654
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -129.984
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -159.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1834.858554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.858554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.858554 (E_RNA)
where:
Base-Base interactions energy: -1269.726
where: short stacking energy: -533.671
Base-Backbone interact. energy: -0.224
local terms energy: -564.909224
where:
bonds (distance) C4'-P energy: -101.741
bonds (distance) P-C4' energy: -110.777
flat angles C4'-P-C4' energy: -127.009
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -142.560
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1750.926219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.926219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.926219 (E_RNA)
where:
Base-Base interactions energy: -1226.481
where: short stacking energy: -514.706
Base-Backbone interact. energy: -0.820
local terms energy: -523.624534
where:
bonds (distance) C4'-P energy: -99.927
bonds (distance) P-C4' energy: -103.557
flat angles C4'-P-C4' energy: -117.898
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -141.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1719.182665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.182665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.182665 (E_RNA)
where:
Base-Base interactions energy: -1200.738
where: short stacking energy: -501.806
Base-Backbone interact. energy: -2.105
local terms energy: -516.339737
where:
bonds (distance) C4'-P energy: -107.884
bonds (distance) P-C4' energy: -86.035
flat angles C4'-P-C4' energy: -116.220
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -136.306
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: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1635.050304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.050304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.050304 (E_RNA)
where:
Base-Base interactions energy: -1145.001
where: short stacking energy: -464.317
Base-Backbone interact. energy: -3.871
local terms energy: -486.178793
where:
bonds (distance) C4'-P energy: -79.131
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -116.619
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -118.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1561.692724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.692724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.692724 (E_RNA)
where:
Base-Base interactions energy: -1083.382
where: short stacking energy: -458.941
Base-Backbone interact. energy: 1.046
local terms energy: -479.356931
where:
bonds (distance) C4'-P energy: -84.804
bonds (distance) P-C4' energy: -102.304
flat angles C4'-P-C4' energy: -101.658
flat angles P-C4'-P energy: -62.096
tors. eta vs tors. theta energy: -128.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1385.851497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.851497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.851497 (E_RNA)
where:
Base-Base interactions energy: -939.634
where: short stacking energy: -425.376
Base-Backbone interact. energy: -2.908
local terms energy: -443.310330
where:
bonds (distance) C4'-P energy: -79.557
bonds (distance) P-C4' energy: -98.618
flat angles C4'-P-C4' energy: -100.589
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -103.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1266.314868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.314868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.314868 (E_RNA)
where:
Base-Base interactions energy: -835.459
where: short stacking energy: -358.934
Base-Backbone interact. energy: -1.162
local terms energy: -429.693532
where:
bonds (distance) C4'-P energy: -91.401
bonds (distance) P-C4' energy: -95.007
flat angles C4'-P-C4' energy: -104.189
flat angles P-C4'-P energy: -70.478
tors. eta vs tors. theta energy: -68.617
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: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1061.504213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.504213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.504213 (E_RNA)
where:
Base-Base interactions energy: -681.436
where: short stacking energy: -297.750
Base-Backbone interact. energy: -1.091
local terms energy: -378.977710
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -92.733
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: -55.904
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: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -924.089160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.089160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.089160 (E_RNA)
where:
Base-Base interactions energy: -595.901
where: short stacking energy: -258.328
Base-Backbone interact. energy: -1.835
local terms energy: -326.353470
where:
bonds (distance) C4'-P energy: -73.283
bonds (distance) P-C4' energy: -87.754
flat angles C4'-P-C4' energy: -88.607
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1928.164022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.164022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.164022 (E_RNA)
where:
Base-Base interactions energy: -1345.596
where: short stacking energy: -589.453
Base-Backbone interact. energy: 3.043
local terms energy: -585.610559
where:
bonds (distance) C4'-P energy: -107.281
bonds (distance) P-C4' energy: -100.457
flat angles C4'-P-C4' energy: -129.448
flat angles P-C4'-P energy: -80.009
tors. eta vs tors. theta energy: -168.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1800.814638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.814638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.814638 (E_RNA)
where:
Base-Base interactions energy: -1243.892
where: short stacking energy: -517.506
Base-Backbone interact. energy: 2.273
local terms energy: -559.195813
where:
bonds (distance) C4'-P energy: -97.909
bonds (distance) P-C4' energy: -99.237
flat angles C4'-P-C4' energy: -131.896
flat angles P-C4'-P energy: -85.021
tors. eta vs tors. theta energy: -145.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1776.757390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.757390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.757390 (E_RNA)
where:
Base-Base interactions energy: -1226.193
where: short stacking energy: -528.960
Base-Backbone interact. energy: -1.303
local terms energy: -549.261143
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -106.937
flat angles C4'-P-C4' energy: -119.578
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -148.385
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: 129
Temperature: 1.050000
Total energy: -1718.375093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.375093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.375093 (E_RNA)
where:
Base-Base interactions energy: -1188.356
where: short stacking energy: -492.948
Base-Backbone interact. energy: -4.400
local terms energy: -525.619035
where:
bonds (distance) C4'-P energy: -104.593
bonds (distance) P-C4' energy: -97.626
flat angles C4'-P-C4' energy: -113.341
flat angles P-C4'-P energy: -77.093
tors. eta vs tors. theta energy: -132.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1636.419302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.419302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.419302 (E_RNA)
where:
Base-Base interactions energy: -1131.366
where: short stacking energy: -478.749
Base-Backbone interact. energy: 3.659
local terms energy: -508.711829
where:
bonds (distance) C4'-P energy: -97.598
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -111.464
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -115.770
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1602.555280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.555280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.555280 (E_RNA)
where:
Base-Base interactions energy: -1117.382
where: short stacking energy: -487.516
Base-Backbone interact. energy: -1.411
local terms energy: -483.762053
where:
bonds (distance) C4'-P energy: -94.103
bonds (distance) P-C4' energy: -93.507
flat angles C4'-P-C4' energy: -107.809
flat angles P-C4'-P energy: -71.741
tors. eta vs tors. theta energy: -116.602
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: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1366.995968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.995968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.995968 (E_RNA)
where:
Base-Base interactions energy: -926.898
where: short stacking energy: -384.540
Base-Backbone interact. energy: -0.583
local terms energy: -439.514982
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -106.241
flat angles C4'-P-C4' energy: -109.702
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -88.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1263.326978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.326978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.326978 (E_RNA)
where:
Base-Base interactions energy: -854.328
where: short stacking energy: -344.419
Base-Backbone interact. energy: -2.283
local terms energy: -406.715798
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -101.291
flat angles C4'-P-C4' energy: -92.150
flat angles P-C4'-P energy: -66.362
tors. eta vs tors. theta energy: -72.228
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: 129
Temperature: 1.300000
Total energy: -1056.487089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.487089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.487089 (E_RNA)
where:
Base-Base interactions energy: -720.486
where: short stacking energy: -338.964
Base-Backbone interact. energy: -4.112
local terms energy: -331.889201
where:
bonds (distance) C4'-P energy: -68.815
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -89.166
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -61.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -971.274949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.274949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.274949 (E_RNA)
where:
Base-Base interactions energy: -646.702
where: short stacking energy: -300.085
Base-Backbone interact. energy: 0.646
local terms energy: -325.219653
where:
bonds (distance) C4'-P energy: -80.576
bonds (distance) P-C4' energy: -76.642
flat angles C4'-P-C4' energy: -75.994
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -48.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1900.075468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.075468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.075468 (E_RNA)
where:
Base-Base interactions energy: -1328.351
where: short stacking energy: -560.979
Base-Backbone interact. energy: -5.256
local terms energy: -566.468273
where:
bonds (distance) C4'-P energy: -105.798
bonds (distance) P-C4' energy: -116.225
flat angles C4'-P-C4' energy: -111.734
flat angles P-C4'-P energy: -75.180
tors. eta vs tors. theta energy: -157.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1798.695963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.695963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.695963 (E_RNA)
where:
Base-Base interactions energy: -1248.669
where: short stacking energy: -542.780
Base-Backbone interact. energy: 0.436
local terms energy: -550.463501
where:
bonds (distance) C4'-P energy: -109.724
bonds (distance) P-C4' energy: -105.334
flat angles C4'-P-C4' energy: -115.459
flat angles P-C4'-P energy: -72.549
tors. eta vs tors. theta energy: -147.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1761.858970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.858970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.858970 (E_RNA)
where:
Base-Base interactions energy: -1241.919
where: short stacking energy: -523.811
Base-Backbone interact. energy: -2.003
local terms energy: -517.936819
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -107.025
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -83.695
tors. eta vs tors. theta energy: -124.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1699.249536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.249536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.249536 (E_RNA)
where:
Base-Base interactions energy: -1178.446
where: short stacking energy: -491.642
Base-Backbone interact. energy: -3.955
local terms energy: -516.847956
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -104.300
flat angles C4'-P-C4' energy: -113.132
flat angles P-C4'-P energy: -81.784
tors. eta vs tors. theta energy: -125.774
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: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1649.365207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.365207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.365207 (E_RNA)
where:
Base-Base interactions energy: -1148.432
where: short stacking energy: -479.755
Base-Backbone interact. energy: 1.491
local terms energy: -502.424196
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -69.911
tors. eta vs tors. theta energy: -127.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1597.765724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.765724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.765724 (E_RNA)
where:
Base-Base interactions energy: -1147.652
where: short stacking energy: -457.428
Base-Backbone interact. energy: -0.675
local terms energy: -449.439330
where:
bonds (distance) C4'-P energy: -92.190
bonds (distance) P-C4' energy: -87.066
flat angles C4'-P-C4' energy: -94.300
flat angles P-C4'-P energy: -70.121
tors. eta vs tors. theta energy: -105.762
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: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1391.175476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.175476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.175476 (E_RNA)
where:
Base-Base interactions energy: -961.314
where: short stacking energy: -381.128
Base-Backbone interact. energy: -2.197
local terms energy: -427.664928
where:
bonds (distance) C4'-P energy: -85.547
bonds (distance) P-C4' energy: -74.131
flat angles C4'-P-C4' energy: -104.283
flat angles P-C4'-P energy: -71.092
tors. eta vs tors. theta energy: -92.611
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: 130
Temperature: 1.250000
Total energy: -1259.191446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.191446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.191446 (E_RNA)
where:
Base-Base interactions energy: -848.672
where: short stacking energy: -389.589
Base-Backbone interact. energy: 2.602
local terms energy: -413.121668
where:
bonds (distance) C4'-P energy: -83.188
bonds (distance) P-C4' energy: -88.023
flat angles C4'-P-C4' energy: -98.711
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -84.576
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -937.134922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.134922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.134922 (E_RNA)
where:
Base-Base interactions energy: -599.964
where: short stacking energy: -285.321
Base-Backbone interact. energy: 3.231
local terms energy: -340.401693
where:
bonds (distance) C4'-P energy: -88.628
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -79.091
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -34.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -997.481995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.481995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.481995 (E_RNA)
where:
Base-Base interactions energy: -655.158
where: short stacking energy: -307.171
Base-Backbone interact. energy: 5.195
local terms energy: -347.518888
where:
bonds (distance) C4'-P energy: -88.356
bonds (distance) P-C4' energy: -77.383
flat angles C4'-P-C4' energy: -73.954
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -55.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1929.923032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.923032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.923032 (E_RNA)
where:
Base-Base interactions energy: -1346.279
where: short stacking energy: -570.532
Base-Backbone interact. energy: -3.684
local terms energy: -579.960441
where:
bonds (distance) C4'-P energy: -105.386
bonds (distance) P-C4' energy: -106.574
flat angles C4'-P-C4' energy: -125.882
flat angles P-C4'-P energy: -80.716
tors. eta vs tors. theta energy: -161.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1842.141346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.141346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.141346 (E_RNA)
where:
Base-Base interactions energy: -1275.161
where: short stacking energy: -568.090
Base-Backbone interact. energy: -4.243
local terms energy: -562.737841
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -96.885
flat angles C4'-P-C4' energy: -122.629
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -158.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1738.165929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.165929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.165929 (E_RNA)
where:
Base-Base interactions energy: -1207.081
where: short stacking energy: -483.068
Base-Backbone interact. energy: -2.212
local terms energy: -528.872425
where:
bonds (distance) C4'-P energy: -88.228
bonds (distance) P-C4' energy: -109.911
flat angles C4'-P-C4' energy: -123.057
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -136.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1724.645100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.645100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.645100 (E_RNA)
where:
Base-Base interactions energy: -1201.851
where: short stacking energy: -523.391
Base-Backbone interact. energy: 0.008
local terms energy: -522.801645
where:
bonds (distance) C4'-P energy: -105.918
bonds (distance) P-C4' energy: -82.161
flat angles C4'-P-C4' energy: -117.299
flat angles P-C4'-P energy: -81.040
tors. eta vs tors. theta energy: -136.383
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: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1629.192763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.192763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.192763 (E_RNA)
where:
Base-Base interactions energy: -1132.476
where: short stacking energy: -469.689
Base-Backbone interact. energy: -3.192
local terms energy: -493.525404
where:
bonds (distance) C4'-P energy: -99.726
bonds (distance) P-C4' energy: -98.124
flat angles C4'-P-C4' energy: -111.994
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -118.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1582.013684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.013684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.013684 (E_RNA)
where:
Base-Base interactions energy: -1093.336
where: short stacking energy: -455.959
Base-Backbone interact. energy: -1.679
local terms energy: -486.998518
where:
bonds (distance) C4'-P energy: -94.544
bonds (distance) P-C4' energy: -100.636
flat angles C4'-P-C4' energy: -118.023
flat angles P-C4'-P energy: -57.454
tors. eta vs tors. theta energy: -116.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1390.389058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.389058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.389058 (E_RNA)
where:
Base-Base interactions energy: -976.215
where: short stacking energy: -422.583
Base-Backbone interact. energy: -2.869
local terms energy: -411.304947
where:
bonds (distance) C4'-P energy: -74.757
bonds (distance) P-C4' energy: -77.464
flat angles C4'-P-C4' energy: -102.988
flat angles P-C4'-P energy: -58.815
tors. eta vs tors. theta energy: -97.280
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1263.960608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.960608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.960608 (E_RNA)
where:
Base-Base interactions energy: -848.251
where: short stacking energy: -373.816
Base-Backbone interact. energy: 0.833
local terms energy: -416.542739
where:
bonds (distance) C4'-P energy: -85.305
bonds (distance) P-C4' energy: -88.783
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -68.411
tors. eta vs tors. theta energy: -77.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1033.317599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.317599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.317599 (E_RNA)
where:
Base-Base interactions energy: -657.912
where: short stacking energy: -314.883
Base-Backbone interact. energy: -2.582
local terms energy: -372.823927
where:
bonds (distance) C4'-P energy: -82.653
bonds (distance) P-C4' energy: -86.725
flat angles C4'-P-C4' energy: -92.787
flat angles P-C4'-P energy: -48.097
tors. eta vs tors. theta energy: -62.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1033.306406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.306406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.306406 (E_RNA)
where:
Base-Base interactions energy: -677.786
where: short stacking energy: -305.290
Base-Backbone interact. energy: -1.076
local terms energy: -354.443765
where:
bonds (distance) C4'-P energy: -76.231
bonds (distance) P-C4' energy: -83.667
flat angles C4'-P-C4' energy: -89.702
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -54.214
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: 132
Temperature: 0.900000
Total energy: -1919.356567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.356567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.356567 (E_RNA)
where:
Base-Base interactions energy: -1353.751
where: short stacking energy: -573.340
Base-Backbone interact. energy: 0.947
local terms energy: -566.551865
where:
bonds (distance) C4'-P energy: -98.123
bonds (distance) P-C4' energy: -98.145
flat angles C4'-P-C4' energy: -118.376
flat angles P-C4'-P energy: -85.076
tors. eta vs tors. theta energy: -166.831
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: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1821.259333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.259333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.259333 (E_RNA)
where:
Base-Base interactions energy: -1251.212
where: short stacking energy: -544.317
Base-Backbone interact. energy: -2.462
local terms energy: -567.585315
where:
bonds (distance) C4'-P energy: -96.721
bonds (distance) P-C4' energy: -102.597
flat angles C4'-P-C4' energy: -126.488
flat angles P-C4'-P energy: -83.202
tors. eta vs tors. theta energy: -158.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1765.786803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.786803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.786803 (E_RNA)
where:
Base-Base interactions energy: -1234.182
where: short stacking energy: -505.839
Base-Backbone interact. energy: -0.942
local terms energy: -530.662983
where:
bonds (distance) C4'-P energy: -105.434
bonds (distance) P-C4' energy: -93.352
flat angles C4'-P-C4' energy: -119.630
flat angles P-C4'-P energy: -77.040
tors. eta vs tors. theta energy: -135.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1737.237517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.237517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.237517 (E_RNA)
where:
Base-Base interactions energy: -1208.523
where: short stacking energy: -510.418
Base-Backbone interact. energy: -0.413
local terms energy: -528.302003
where:
bonds (distance) C4'-P energy: -90.868
bonds (distance) P-C4' energy: -108.418
flat angles C4'-P-C4' energy: -115.361
flat angles P-C4'-P energy: -78.063
tors. eta vs tors. theta energy: -135.592
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1641.331965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.331965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.331965 (E_RNA)
where:
Base-Base interactions energy: -1170.363
where: short stacking energy: -477.942
Base-Backbone interact. energy: -0.887
local terms energy: -470.082389
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -96.293
flat angles C4'-P-C4' energy: -115.897
flat angles P-C4'-P energy: -73.878
tors. eta vs tors. theta energy: -122.601
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: 132
Temperature: 1.150000
Total energy: -1588.137615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.137615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.137615 (E_RNA)
where:
Base-Base interactions energy: -1118.074
where: short stacking energy: -450.121
Base-Backbone interact. energy: -6.184
local terms energy: -463.879836
where:
bonds (distance) C4'-P energy: -82.414
bonds (distance) P-C4' energy: -95.691
flat angles C4'-P-C4' energy: -108.515
flat angles P-C4'-P energy: -59.614
tors. eta vs tors. theta energy: -117.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1325.302603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.302603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.302603 (E_RNA)
where:
Base-Base interactions energy: -900.543
where: short stacking energy: -406.938
Base-Backbone interact. energy: 5.106
local terms energy: -429.865699
where:
bonds (distance) C4'-P energy: -92.471
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -88.512
flat angles P-C4'-P energy: -64.843
tors. eta vs tors. theta energy: -89.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1326.794852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.794852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.794852 (E_RNA)
where:
Base-Base interactions energy: -914.813
where: short stacking energy: -386.947
Base-Backbone interact. energy: -2.802
local terms energy: -409.179644
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -77.704
flat angles C4'-P-C4' energy: -91.692
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -89.311
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1068.001275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.001275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.001275 (E_RNA)
where:
Base-Base interactions energy: -701.525
where: short stacking energy: -314.204
Base-Backbone interact. energy: 3.851
local terms energy: -370.326650
where:
bonds (distance) C4'-P energy: -73.939
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -85.735
flat angles P-C4'-P energy: -56.057
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: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -832.968900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.968900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.968900 (E_RNA)
where:
Base-Base interactions energy: -513.658
where: short stacking energy: -233.207
Base-Backbone interact. energy: -2.048
local terms energy: -317.263159
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -90.920
flat angles C4'-P-C4' energy: -77.543
flat angles P-C4'-P energy: -44.879
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1947.953077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.953077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.953077 (E_RNA)
where:
Base-Base interactions energy: -1360.688
where: short stacking energy: -582.682
Base-Backbone interact. energy: -3.387
local terms energy: -583.877798
where:
bonds (distance) C4'-P energy: -103.061
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -127.623
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -168.975
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: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1823.813026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.813026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.813026 (E_RNA)
where:
Base-Base interactions energy: -1272.822
where: short stacking energy: -554.130
Base-Backbone interact. energy: -2.588
local terms energy: -548.402819
where:
bonds (distance) C4'-P energy: -107.654
bonds (distance) P-C4' energy: -97.437
flat angles C4'-P-C4' energy: -115.500
flat angles P-C4'-P energy: -74.093
tors. eta vs tors. theta energy: -153.719
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1792.520207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.520207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.520207 (E_RNA)
where:
Base-Base interactions energy: -1264.026
where: short stacking energy: -514.298
Base-Backbone interact. energy: 0.757
local terms energy: -529.250820
where:
bonds (distance) C4'-P energy: -95.480
bonds (distance) P-C4' energy: -88.749
flat angles C4'-P-C4' energy: -122.676
flat angles P-C4'-P energy: -84.701
tors. eta vs tors. theta energy: -137.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1729.313468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.313468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.313468 (E_RNA)
where:
Base-Base interactions energy: -1199.251
where: short stacking energy: -488.290
Base-Backbone interact. energy: -1.537
local terms energy: -528.525800
where:
bonds (distance) C4'-P energy: -104.491
bonds (distance) P-C4' energy: -94.505
flat angles C4'-P-C4' energy: -114.961
flat angles P-C4'-P energy: -83.038
tors. eta vs tors. theta energy: -131.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1666.803358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.803358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.803358 (E_RNA)
where:
Base-Base interactions energy: -1176.768
where: short stacking energy: -475.425
Base-Backbone interact. energy: 0.723
local terms energy: -490.758429
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -90.570
flat angles C4'-P-C4' energy: -116.760
flat angles P-C4'-P energy: -71.611
tors. eta vs tors. theta energy: -127.457
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: 133
Temperature: 1.150000
Total energy: -1588.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.866174 (E_RNA)
where:
Base-Base interactions energy: -1092.697
where: short stacking energy: -462.933
Base-Backbone interact. energy: 1.612
local terms energy: -497.782049
where:
bonds (distance) C4'-P energy: -99.592
bonds (distance) P-C4' energy: -89.713
flat angles C4'-P-C4' energy: -112.668
flat angles P-C4'-P energy: -80.132
tors. eta vs tors. theta energy: -115.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1306.894959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.894959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.894959 (E_RNA)
where:
Base-Base interactions energy: -894.097
where: short stacking energy: -384.485
Base-Backbone interact. energy: -1.479
local terms energy: -411.319364
where:
bonds (distance) C4'-P energy: -76.130
bonds (distance) P-C4' energy: -81.218
flat angles C4'-P-C4' energy: -98.618
flat angles P-C4'-P energy: -73.538
tors. eta vs tors. theta energy: -81.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1266.782558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.782558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.782558 (E_RNA)
where:
Base-Base interactions energy: -873.323
where: short stacking energy: -361.840
Base-Backbone interact. energy: -0.021
local terms energy: -393.439212
where:
bonds (distance) C4'-P energy: -85.674
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -95.735
flat angles P-C4'-P energy: -54.749
tors. eta vs tors. theta energy: -66.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1021.452560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.452560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.452560 (E_RNA)
where:
Base-Base interactions energy: -673.777
where: short stacking energy: -291.842
Base-Backbone interact. energy: 0.433
local terms energy: -348.108911
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -76.956
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: -48.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -892.577413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.577413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.577413 (E_RNA)
where:
Base-Base interactions energy: -574.423
where: short stacking energy: -252.701
Base-Backbone interact. energy: -0.424
local terms energy: -317.729742
where:
bonds (distance) C4'-P energy: -81.168
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -26.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1933.748718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.748718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.748718 (E_RNA)
where:
Base-Base interactions energy: -1362.360
where: short stacking energy: -554.465
Base-Backbone interact. energy: -2.706
local terms energy: -568.682946
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -108.971
flat angles C4'-P-C4' energy: -125.892
flat angles P-C4'-P energy: -79.535
tors. eta vs tors. theta energy: -161.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1806.313826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.313826 (E_RNA)
where:
Base-Base interactions energy: -1252.136
where: short stacking energy: -527.712
Base-Backbone interact. energy: -1.597
local terms energy: -552.581208
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -100.429
flat angles C4'-P-C4' energy: -125.286
flat angles P-C4'-P energy: -78.698
tors. eta vs tors. theta energy: -140.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1793.659590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.659590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.659590 (E_RNA)
where:
Base-Base interactions energy: -1260.395
where: short stacking energy: -536.558
Base-Backbone interact. energy: -1.437
local terms energy: -531.827375
where:
bonds (distance) C4'-P energy: -91.501
bonds (distance) P-C4' energy: -95.779
flat angles C4'-P-C4' energy: -121.407
flat angles P-C4'-P energy: -77.883
tors. eta vs tors. theta energy: -145.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1743.537404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.537404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.537404 (E_RNA)
where:
Base-Base interactions energy: -1207.320
where: short stacking energy: -504.628
Base-Backbone interact. energy: -1.527
local terms energy: -534.689884
where:
bonds (distance) C4'-P energy: -101.518
bonds (distance) P-C4' energy: -103.156
flat angles C4'-P-C4' energy: -114.807
flat angles P-C4'-P energy: -80.342
tors. eta vs tors. theta energy: -134.867
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1627.686161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.686161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.686161 (E_RNA)
where:
Base-Base interactions energy: -1148.920
where: short stacking energy: -484.303
Base-Backbone interact. energy: -4.173
local terms energy: -474.593383
where:
bonds (distance) C4'-P energy: -81.316
bonds (distance) P-C4' energy: -99.133
flat angles C4'-P-C4' energy: -102.452
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -124.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1638.046502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.046502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.046502 (E_RNA)
where:
Base-Base interactions energy: -1130.794
where: short stacking energy: -480.194
Base-Backbone interact. energy: -1.065
local terms energy: -506.187833
where:
bonds (distance) C4'-P energy: -91.164
bonds (distance) P-C4' energy: -99.065
flat angles C4'-P-C4' energy: -112.912
flat angles P-C4'-P energy: -72.793
tors. eta vs tors. theta energy: -130.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1311.874061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.874061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.874061 (E_RNA)
where:
Base-Base interactions energy: -866.780
where: short stacking energy: -387.281
Base-Backbone interact. energy: 1.211
local terms energy: -446.304717
where:
bonds (distance) C4'-P energy: -94.450
bonds (distance) P-C4' energy: -87.937
flat angles C4'-P-C4' energy: -104.794
flat angles P-C4'-P energy: -67.678
tors. eta vs tors. theta energy: -91.445
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: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1279.466188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.466188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.466188 (E_RNA)
where:
Base-Base interactions energy: -850.009
where: short stacking energy: -363.870
Base-Backbone interact. energy: 2.175
local terms energy: -431.632329
where:
bonds (distance) C4'-P energy: -99.723
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -95.172
flat angles P-C4'-P energy: -63.743
tors. eta vs tors. theta energy: -84.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1056.148020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.148020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.148020 (E_RNA)
where:
Base-Base interactions energy: -704.900
where: short stacking energy: -291.800
Base-Backbone interact. energy: -1.212
local terms energy: -350.036036
where:
bonds (distance) C4'-P energy: -67.062
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -87.546
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -807.977277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.977277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.977277 (E_RNA)
where:
Base-Base interactions energy: -490.279
where: short stacking energy: -246.623
Base-Backbone interact. energy: -1.387
local terms energy: -316.311424
where:
bonds (distance) C4'-P energy: -80.504
bonds (distance) P-C4' energy: -78.957
flat angles C4'-P-C4' energy: -82.783
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -27.697
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: 135
Temperature: 0.900000
Total energy: -1912.868764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.868764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.868764 (E_RNA)
where:
Base-Base interactions energy: -1329.514
where: short stacking energy: -560.426
Base-Backbone interact. energy: -4.614
local terms energy: -578.740524
where:
bonds (distance) C4'-P energy: -107.529
bonds (distance) P-C4' energy: -110.819
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -81.385
tors. eta vs tors. theta energy: -166.549
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: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1801.791794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.791794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.791794 (E_RNA)
where:
Base-Base interactions energy: -1252.513
where: short stacking energy: -539.568
Base-Backbone interact. energy: 0.058
local terms energy: -549.337404
where:
bonds (distance) C4'-P energy: -95.287
bonds (distance) P-C4' energy: -103.511
flat angles C4'-P-C4' energy: -117.707
flat angles P-C4'-P energy: -86.843
tors. eta vs tors. theta energy: -145.990
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: 135
Temperature: 1.000000
Total energy: -1802.320555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.320555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.320555 (E_RNA)
where:
Base-Base interactions energy: -1231.943
where: short stacking energy: -510.370
Base-Backbone interact. energy: -0.655
local terms energy: -569.722812
where:
bonds (distance) C4'-P energy: -106.173
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -125.679
flat angles P-C4'-P energy: -83.283
tors. eta vs tors. theta energy: -150.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1755.970971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.970971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.970971 (E_RNA)
where:
Base-Base interactions energy: -1224.419
where: short stacking energy: -513.673
Base-Backbone interact. energy: -1.032
local terms energy: -530.519055
where:
bonds (distance) C4'-P energy: -89.946
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -122.100
flat angles P-C4'-P energy: -66.620
tors. eta vs tors. theta energy: -149.373
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1621.872718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.872718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.872718 (E_RNA)
where:
Base-Base interactions energy: -1143.941
where: short stacking energy: -479.272
Base-Backbone interact. energy: 0.352
local terms energy: -478.284116
where:
bonds (distance) C4'-P energy: -89.493
bonds (distance) P-C4' energy: -88.163
flat angles C4'-P-C4' energy: -106.840
flat angles P-C4'-P energy: -78.452
tors. eta vs tors. theta energy: -115.336
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: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1631.206693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.206693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.206693 (E_RNA)
where:
Base-Base interactions energy: -1154.127
where: short stacking energy: -457.326
Base-Backbone interact. energy: -1.145
local terms energy: -475.934876
where:
bonds (distance) C4'-P energy: -97.811
bonds (distance) P-C4' energy: -95.756
flat angles C4'-P-C4' energy: -101.601
flat angles P-C4'-P energy: -59.605
tors. eta vs tors. theta energy: -121.162
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: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1298.948584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.948584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.948584 (E_RNA)
where:
Base-Base interactions energy: -890.173
where: short stacking energy: -362.037
Base-Backbone interact. energy: 0.290
local terms energy: -409.065509
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -91.050
flat angles C4'-P-C4' energy: -101.360
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -68.402
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: 135
Temperature: 1.250000
Total energy: -1269.490385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.490385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.490385 (E_RNA)
where:
Base-Base interactions energy: -859.993
where: short stacking energy: -361.865
Base-Backbone interact. energy: -0.940
local terms energy: -408.557693
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -100.033
flat angles C4'-P-C4' energy: -90.739
flat angles P-C4'-P energy: -54.057
tors. eta vs tors. theta energy: -83.305
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: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1094.493841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.493841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.493841 (E_RNA)
where:
Base-Base interactions energy: -721.169
where: short stacking energy: -340.263
Base-Backbone interact. energy: -1.761
local terms energy: -371.563462
where:
bonds (distance) C4'-P energy: -78.677
bonds (distance) P-C4' energy: -85.115
flat angles C4'-P-C4' energy: -93.662
flat angles P-C4'-P energy: -66.292
tors. eta vs tors. theta energy: -47.817
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: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -835.831916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.831916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.831916 (E_RNA)
where:
Base-Base interactions energy: -517.734
where: short stacking energy: -232.410
Base-Backbone interact. energy: -2.132
local terms energy: -315.964987
where:
bonds (distance) C4'-P energy: -83.808
bonds (distance) P-C4' energy: -70.256
flat angles C4'-P-C4' energy: -75.945
flat angles P-C4'-P energy: -60.798
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1907.536753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.536753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.536753 (E_RNA)
where:
Base-Base interactions energy: -1323.007
where: short stacking energy: -566.807
Base-Backbone interact. energy: -1.703
local terms energy: -582.826523
where:
bonds (distance) C4'-P energy: -113.143
bonds (distance) P-C4' energy: -105.196
flat angles C4'-P-C4' energy: -120.846
flat angles P-C4'-P energy: -76.691
tors. eta vs tors. theta energy: -166.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1803.918213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.918213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.918213 (E_RNA)
where:
Base-Base interactions energy: -1236.818
where: short stacking energy: -536.603
Base-Backbone interact. energy: -2.226
local terms energy: -564.874132
where:
bonds (distance) C4'-P energy: -105.308
bonds (distance) P-C4' energy: -91.791
flat angles C4'-P-C4' energy: -134.968
flat angles P-C4'-P energy: -82.974
tors. eta vs tors. theta energy: -149.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1791.104437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.104437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.104437 (E_RNA)
where:
Base-Base interactions energy: -1227.892
where: short stacking energy: -520.381
Base-Backbone interact. energy: -2.159
local terms energy: -561.052892
where:
bonds (distance) C4'-P energy: -105.315
bonds (distance) P-C4' energy: -105.314
flat angles C4'-P-C4' energy: -117.912
flat angles P-C4'-P energy: -80.094
tors. eta vs tors. theta energy: -152.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1735.191754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.191754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.191754 (E_RNA)
where:
Base-Base interactions energy: -1213.535
where: short stacking energy: -508.351
Base-Backbone interact. energy: 1.151
local terms energy: -522.807595
where:
bonds (distance) C4'-P energy: -100.180
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -120.534
flat angles P-C4'-P energy: -73.287
tors. eta vs tors. theta energy: -139.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1660.022005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.022005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.022005 (E_RNA)
where:
Base-Base interactions energy: -1158.378
where: short stacking energy: -476.470
Base-Backbone interact. energy: -3.800
local terms energy: -497.843749
where:
bonds (distance) C4'-P energy: -92.793
bonds (distance) P-C4' energy: -96.719
flat angles C4'-P-C4' energy: -113.745
flat angles P-C4'-P energy: -71.176
tors. eta vs tors. theta energy: -123.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1566.539301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.539301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.539301 (E_RNA)
where:
Base-Base interactions energy: -1086.502
where: short stacking energy: -470.646
Base-Backbone interact. energy: -2.140
local terms energy: -477.897755
where:
bonds (distance) C4'-P energy: -80.898
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -103.294
flat angles P-C4'-P energy: -76.047
tors. eta vs tors. theta energy: -129.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1299.160164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.160164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.160164 (E_RNA)
where:
Base-Base interactions energy: -868.718
where: short stacking energy: -388.972
Base-Backbone interact. energy: 4.259
local terms energy: -434.701061
where:
bonds (distance) C4'-P energy: -88.254
bonds (distance) P-C4' energy: -87.770
flat angles C4'-P-C4' energy: -107.679
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -80.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1237.156563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.156563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.156563 (E_RNA)
where:
Base-Base interactions energy: -834.708
where: short stacking energy: -343.384
Base-Backbone interact. energy: -1.859
local terms energy: -400.589867
where:
bonds (distance) C4'-P energy: -85.413
bonds (distance) P-C4' energy: -92.245
flat angles C4'-P-C4' energy: -94.198
flat angles P-C4'-P energy: -55.643
tors. eta vs tors. theta energy: -73.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1079.915262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.915262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.915262 (E_RNA)
where:
Base-Base interactions energy: -710.732
where: short stacking energy: -321.558
Base-Backbone interact. energy: 0.825
local terms energy: -370.008201
where:
bonds (distance) C4'-P energy: -87.623
bonds (distance) P-C4' energy: -96.613
flat angles C4'-P-C4' energy: -81.618
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -55.720
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -845.541003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.541003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.541003 (E_RNA)
where:
Base-Base interactions energy: -544.040
where: short stacking energy: -244.913
Base-Backbone interact. energy: 3.324
local terms energy: -304.824993
where:
bonds (distance) C4'-P energy: -84.908
bonds (distance) P-C4' energy: -86.644
flat angles C4'-P-C4' energy: -73.078
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1896.598835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.598835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.598835 (E_RNA)
where:
Base-Base interactions energy: -1321.359
where: short stacking energy: -566.094
Base-Backbone interact. energy: 4.054
local terms energy: -579.293042
where:
bonds (distance) C4'-P energy: -99.064
bonds (distance) P-C4' energy: -114.083
flat angles C4'-P-C4' energy: -116.970
flat angles P-C4'-P energy: -92.813
tors. eta vs tors. theta energy: -156.363
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: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1836.176131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.176131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.176131 (E_RNA)
where:
Base-Base interactions energy: -1264.040
where: short stacking energy: -545.015
Base-Backbone interact. energy: -2.494
local terms energy: -569.642042
where:
bonds (distance) C4'-P energy: -98.598
bonds (distance) P-C4' energy: -118.564
flat angles C4'-P-C4' energy: -111.301
flat angles P-C4'-P energy: -85.676
tors. eta vs tors. theta energy: -155.503
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1769.397262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.397262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.397262 (E_RNA)
where:
Base-Base interactions energy: -1248.349
where: short stacking energy: -523.289
Base-Backbone interact. energy: -3.832
local terms energy: -517.216034
where:
bonds (distance) C4'-P energy: -83.998
bonds (distance) P-C4' energy: -98.534
flat angles C4'-P-C4' energy: -116.359
flat angles P-C4'-P energy: -79.443
tors. eta vs tors. theta energy: -138.883
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1733.187047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.187047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.187047 (E_RNA)
where:
Base-Base interactions energy: -1219.205
where: short stacking energy: -507.699
Base-Backbone interact. energy: -3.325
local terms energy: -510.657038
where:
bonds (distance) C4'-P energy: -90.028
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -106.299
flat angles P-C4'-P energy: -71.222
tors. eta vs tors. theta energy: -140.728
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1640.857311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.857311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.857311 (E_RNA)
where:
Base-Base interactions energy: -1145.966
where: short stacking energy: -471.468
Base-Backbone interact. energy: -5.005
local terms energy: -489.886619
where:
bonds (distance) C4'-P energy: -86.888
bonds (distance) P-C4' energy: -83.477
flat angles C4'-P-C4' energy: -119.947
flat angles P-C4'-P energy: -73.224
tors. eta vs tors. theta energy: -126.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1573.864618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.864618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.864618 (E_RNA)
where:
Base-Base interactions energy: -1115.175
where: short stacking energy: -434.567
Base-Backbone interact. energy: -3.150
local terms energy: -455.539774
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -98.610
flat angles P-C4'-P energy: -64.341
tors. eta vs tors. theta energy: -113.527
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: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1328.262511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.262511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.262511 (E_RNA)
where:
Base-Base interactions energy: -887.613
where: short stacking energy: -373.244
Base-Backbone interact. energy: -0.122
local terms energy: -440.527740
where:
bonds (distance) C4'-P energy: -93.766
bonds (distance) P-C4' energy: -92.469
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -90.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1267.710537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.710537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.710537 (E_RNA)
where:
Base-Base interactions energy: -856.579
where: short stacking energy: -361.359
Base-Backbone interact. energy: -3.011
local terms energy: -408.121059
where:
bonds (distance) C4'-P energy: -75.090
bonds (distance) P-C4' energy: -93.578
flat angles C4'-P-C4' energy: -99.567
flat angles P-C4'-P energy: -63.080
tors. eta vs tors. theta energy: -76.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1109.876267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.876267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.876267 (E_RNA)
where:
Base-Base interactions energy: -740.738
where: short stacking energy: -316.658
Base-Backbone interact. energy: -0.993
local terms energy: -368.145073
where:
bonds (distance) C4'-P energy: -73.217
bonds (distance) P-C4' energy: -98.378
flat angles C4'-P-C4' energy: -88.295
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -57.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -849.287379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.287379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.287379 (E_RNA)
where:
Base-Base interactions energy: -486.343
where: short stacking energy: -228.789
Base-Backbone interact. energy: -1.528
local terms energy: -361.416828
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -94.412
flat angles C4'-P-C4' energy: -77.245
flat angles P-C4'-P energy: -63.732
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1909.337933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.337933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.337933 (E_RNA)
where:
Base-Base interactions energy: -1328.063
where: short stacking energy: -564.206
Base-Backbone interact. energy: -2.541
local terms energy: -578.733036
where:
bonds (distance) C4'-P energy: -96.163
bonds (distance) P-C4' energy: -104.847
flat angles C4'-P-C4' energy: -129.849
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -162.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1833.427631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.427631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.427631 (E_RNA)
where:
Base-Base interactions energy: -1270.764
where: short stacking energy: -539.793
Base-Backbone interact. energy: -1.781
local terms energy: -560.882189
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -127.078
flat angles P-C4'-P energy: -84.749
tors. eta vs tors. theta energy: -149.433
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: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1772.245962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.245962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.245962 (E_RNA)
where:
Base-Base interactions energy: -1238.810
where: short stacking energy: -513.562
Base-Backbone interact. energy: -3.957
local terms energy: -529.478246
where:
bonds (distance) C4'-P energy: -87.999
bonds (distance) P-C4' energy: -104.155
flat angles C4'-P-C4' energy: -110.751
flat angles P-C4'-P energy: -76.018
tors. eta vs tors. theta energy: -150.556
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: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1738.189536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.189536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.189536 (E_RNA)
where:
Base-Base interactions energy: -1206.201
where: short stacking energy: -488.982
Base-Backbone interact. energy: -1.119
local terms energy: -530.869803
where:
bonds (distance) C4'-P energy: -100.566
bonds (distance) P-C4' energy: -98.847
flat angles C4'-P-C4' energy: -111.090
flat angles P-C4'-P energy: -81.557
tors. eta vs tors. theta energy: -138.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1635.984492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.984492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.984492 (E_RNA)
where:
Base-Base interactions energy: -1159.032
where: short stacking energy: -481.997
Base-Backbone interact. energy: -2.158
local terms energy: -474.794955
where:
bonds (distance) C4'-P energy: -72.641
bonds (distance) P-C4' energy: -109.865
flat angles C4'-P-C4' energy: -97.631
flat angles P-C4'-P energy: -79.635
tors. eta vs tors. theta energy: -115.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1542.785046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.785046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.785046 (E_RNA)
where:
Base-Base interactions energy: -1074.251
where: short stacking energy: -467.357
Base-Backbone interact. energy: 1.899
local terms energy: -470.432997
where:
bonds (distance) C4'-P energy: -90.101
bonds (distance) P-C4' energy: -94.867
flat angles C4'-P-C4' energy: -107.944
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -122.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1342.736201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.736201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.736201 (E_RNA)
where:
Base-Base interactions energy: -883.240
where: short stacking energy: -397.257
Base-Backbone interact. energy: -1.930
local terms energy: -457.566529
where:
bonds (distance) C4'-P energy: -101.302
bonds (distance) P-C4' energy: -95.559
flat angles C4'-P-C4' energy: -102.003
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -89.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1261.994858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.994858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.994858 (E_RNA)
where:
Base-Base interactions energy: -850.350
where: short stacking energy: -363.988
Base-Backbone interact. energy: -2.460
local terms energy: -409.185237
where:
bonds (distance) C4'-P energy: -80.929
bonds (distance) P-C4' energy: -106.037
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -57.153
tors. eta vs tors. theta energy: -77.804
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: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1124.621974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.621974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.621974 (E_RNA)
where:
Base-Base interactions energy: -754.407
where: short stacking energy: -311.328
Base-Backbone interact. energy: -1.515
local terms energy: -368.699725
where:
bonds (distance) C4'-P energy: -98.556
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -81.832
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -51.138
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: 138
Temperature: 1.350000
Total energy: -890.462139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.462139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.462139 (E_RNA)
where:
Base-Base interactions energy: -561.851
where: short stacking energy: -268.591
Base-Backbone interact. energy: 2.609
local terms energy: -331.219880
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -87.728
flat angles C4'-P-C4' energy: -91.664
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1895.973173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.973173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.973173 (E_RNA)
where:
Base-Base interactions energy: -1296.612
where: short stacking energy: -558.320
Base-Backbone interact. energy: -3.225
local terms energy: -596.136138
where:
bonds (distance) C4'-P energy: -105.740
bonds (distance) P-C4' energy: -111.527
flat angles C4'-P-C4' energy: -128.727
flat angles P-C4'-P energy: -93.181
tors. eta vs tors. theta energy: -156.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1814.869663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.869663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.869663 (E_RNA)
where:
Base-Base interactions energy: -1256.607
where: short stacking energy: -518.386
Base-Backbone interact. energy: -3.435
local terms energy: -554.827503
where:
bonds (distance) C4'-P energy: -99.779
bonds (distance) P-C4' energy: -108.188
flat angles C4'-P-C4' energy: -118.944
flat angles P-C4'-P energy: -86.836
tors. eta vs tors. theta energy: -141.080
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: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1790.527369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.527369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.527369 (E_RNA)
where:
Base-Base interactions energy: -1267.038
where: short stacking energy: -513.494
Base-Backbone interact. energy: 0.027
local terms energy: -523.516719
where:
bonds (distance) C4'-P energy: -98.421
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -112.964
flat angles P-C4'-P energy: -76.950
tors. eta vs tors. theta energy: -139.697
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: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1730.613482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.613482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.613482 (E_RNA)
where:
Base-Base interactions energy: -1193.037
where: short stacking energy: -465.788
Base-Backbone interact. energy: -1.259
local terms energy: -536.317807
where:
bonds (distance) C4'-P energy: -104.421
bonds (distance) P-C4' energy: -101.961
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -72.855
tors. eta vs tors. theta energy: -136.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1616.536850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.536850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.536850 (E_RNA)
where:
Base-Base interactions energy: -1129.889
where: short stacking energy: -433.740
Base-Backbone interact. energy: -0.450
local terms energy: -486.197707
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -105.829
flat angles C4'-P-C4' energy: -112.128
flat angles P-C4'-P energy: -80.045
tors. eta vs tors. theta energy: -103.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1541.219883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.219883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.219883 (E_RNA)
where:
Base-Base interactions energy: -1062.353
where: short stacking energy: -438.913
Base-Backbone interact. energy: -2.372
local terms energy: -476.495033
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -81.437
flat angles C4'-P-C4' energy: -106.663
flat angles P-C4'-P energy: -79.901
tors. eta vs tors. theta energy: -114.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1340.289706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.289706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.289706 (E_RNA)
where:
Base-Base interactions energy: -884.372
where: short stacking energy: -386.799
Base-Backbone interact. energy: -3.834
local terms energy: -452.083360
where:
bonds (distance) C4'-P energy: -108.353
bonds (distance) P-C4' energy: -78.777
flat angles C4'-P-C4' energy: -102.525
flat angles P-C4'-P energy: -77.204
tors. eta vs tors. theta energy: -85.225
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: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1243.099778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.099778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.099778 (E_RNA)
where:
Base-Base interactions energy: -870.456
where: short stacking energy: -363.110
Base-Backbone interact. energy: 2.129
local terms energy: -374.772554
where:
bonds (distance) C4'-P energy: -70.627
bonds (distance) P-C4' energy: -72.489
flat angles C4'-P-C4' energy: -103.130
flat angles P-C4'-P energy: -54.254
tors. eta vs tors. theta energy: -74.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1092.292593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.292593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.292593 (E_RNA)
where:
Base-Base interactions energy: -725.376
where: short stacking energy: -296.828
Base-Backbone interact. energy: 4.404
local terms energy: -371.320797
where:
bonds (distance) C4'-P energy: -97.642
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -86.902
flat angles P-C4'-P energy: -60.389
tors. eta vs tors. theta energy: -36.901
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: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -875.602041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.602041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.602041 (E_RNA)
where:
Base-Base interactions energy: -574.976
where: short stacking energy: -261.563
Base-Backbone interact. energy: 6.784
local terms energy: -307.409288
where:
bonds (distance) C4'-P energy: -80.744
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -75.517
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -33.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1934.574179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.574179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.574179 (E_RNA)
where:
Base-Base interactions energy: -1353.268
where: short stacking energy: -568.485
Base-Backbone interact. energy: -0.133
local terms energy: -581.173239
where:
bonds (distance) C4'-P energy: -98.779
bonds (distance) P-C4' energy: -112.672
flat angles C4'-P-C4' energy: -122.596
flat angles P-C4'-P energy: -85.096
tors. eta vs tors. theta energy: -162.031
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1810.562009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.562009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.562009 (E_RNA)
where:
Base-Base interactions energy: -1234.825
where: short stacking energy: -555.176
Base-Backbone interact. energy: -2.651
local terms energy: -573.086500
where:
bonds (distance) C4'-P energy: -98.342
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -135.094
flat angles P-C4'-P energy: -79.380
tors. eta vs tors. theta energy: -150.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1784.389659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.389659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.389659 (E_RNA)
where:
Base-Base interactions energy: -1249.181
where: short stacking energy: -519.827
Base-Backbone interact. energy: -2.570
local terms energy: -532.638243
where:
bonds (distance) C4'-P energy: -93.201
bonds (distance) P-C4' energy: -96.691
flat angles C4'-P-C4' energy: -118.277
flat angles P-C4'-P energy: -85.379
tors. eta vs tors. theta energy: -139.089
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1720.152370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.152370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.152370 (E_RNA)
where:
Base-Base interactions energy: -1204.691
where: short stacking energy: -509.406
Base-Backbone interact. energy: -2.708
local terms energy: -512.753210
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -100.765
flat angles C4'-P-C4' energy: -100.444
flat angles P-C4'-P energy: -75.005
tors. eta vs tors. theta energy: -136.172
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: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1650.132073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.132073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.132073 (E_RNA)
where:
Base-Base interactions energy: -1184.835
where: short stacking energy: -480.327
Base-Backbone interact. energy: 5.087
local terms energy: -470.383886
where:
bonds (distance) C4'-P energy: -88.674
bonds (distance) P-C4' energy: -102.066
flat angles C4'-P-C4' energy: -109.702
flat angles P-C4'-P energy: -55.302
tors. eta vs tors. theta energy: -114.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1554.675654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.675654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.675654 (E_RNA)
where:
Base-Base interactions energy: -1083.192
where: short stacking energy: -443.861
Base-Backbone interact. energy: -0.987
local terms energy: -470.497362
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -89.319
flat angles C4'-P-C4' energy: -105.545
flat angles P-C4'-P energy: -66.353
tors. eta vs tors. theta energy: -116.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1332.139452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.139452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.139452 (E_RNA)
where:
Base-Base interactions energy: -913.610
where: short stacking energy: -391.505
Base-Backbone interact. energy: -1.078
local terms energy: -417.451511
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -102.172
flat angles C4'-P-C4' energy: -86.606
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -83.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1262.218917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.218917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.218917 (E_RNA)
where:
Base-Base interactions energy: -845.422
where: short stacking energy: -371.326
Base-Backbone interact. energy: -0.653
local terms energy: -416.143764
where:
bonds (distance) C4'-P energy: -96.564
bonds (distance) P-C4' energy: -86.414
flat angles C4'-P-C4' energy: -96.060
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -80.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1048.940998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.940998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.940998 (E_RNA)
where:
Base-Base interactions energy: -673.724
where: short stacking energy: -310.897
Base-Backbone interact. energy: 2.505
local terms energy: -377.721639
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -99.597
flat angles C4'-P-C4' energy: -79.172
flat angles P-C4'-P energy: -53.973
tors. eta vs tors. theta energy: -57.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -849.848679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.848679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.848679 (E_RNA)
where:
Base-Base interactions energy: -527.880
where: short stacking energy: -254.277
Base-Backbone interact. energy: 0.862
local terms energy: -322.831154
where:
bonds (distance) C4'-P energy: -64.247
bonds (distance) P-C4' energy: -83.893
flat angles C4'-P-C4' energy: -93.112
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1924.378269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.378269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.378269 (E_RNA)
where:
Base-Base interactions energy: -1328.190
where: short stacking energy: -571.092
Base-Backbone interact. energy: -2.124
local terms energy: -594.063688
where:
bonds (distance) C4'-P energy: -106.966
bonds (distance) P-C4' energy: -104.494
flat angles C4'-P-C4' energy: -121.999
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -165.936
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1800.551050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.551050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.551050 (E_RNA)
where:
Base-Base interactions energy: -1248.561
where: short stacking energy: -539.234
Base-Backbone interact. energy: 0.356
local terms energy: -552.345473
where:
bonds (distance) C4'-P energy: -96.925
bonds (distance) P-C4' energy: -103.045
flat angles C4'-P-C4' energy: -118.524
flat angles P-C4'-P energy: -83.093
tors. eta vs tors. theta energy: -150.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1782.343967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.343967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.343967 (E_RNA)
where:
Base-Base interactions energy: -1251.741
where: short stacking energy: -529.143
Base-Backbone interact. energy: 0.292
local terms energy: -530.894351
where:
bonds (distance) C4'-P energy: -91.025
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -119.585
flat angles P-C4'-P energy: -63.872
tors. eta vs tors. theta energy: -146.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1702.751361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.751361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.751361 (E_RNA)
where:
Base-Base interactions energy: -1213.517
where: short stacking energy: -488.905
Base-Backbone interact. energy: -3.001
local terms energy: -486.233246
where:
bonds (distance) C4'-P energy: -89.550
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -106.219
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -119.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1648.167008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.167008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.167008 (E_RNA)
where:
Base-Base interactions energy: -1135.303
where: short stacking energy: -469.425
Base-Backbone interact. energy: -2.984
local terms energy: -509.880172
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -104.048
flat angles C4'-P-C4' energy: -113.618
flat angles P-C4'-P energy: -77.377
tors. eta vs tors. theta energy: -127.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1539.614965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.614965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.614965 (E_RNA)
where:
Base-Base interactions energy: -1073.843
where: short stacking energy: -435.662
Base-Backbone interact. energy: -1.355
local terms energy: -464.417189
where:
bonds (distance) C4'-P energy: -91.908
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -111.296
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: -102.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1332.818465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.818465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.818465 (E_RNA)
where:
Base-Base interactions energy: -913.116
where: short stacking energy: -373.810
Base-Backbone interact. energy: -2.469
local terms energy: -417.232955
where:
bonds (distance) C4'-P energy: -91.663
bonds (distance) P-C4' energy: -95.641
flat angles C4'-P-C4' energy: -77.379
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -83.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1184.870863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.870863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.870863 (E_RNA)
where:
Base-Base interactions energy: -766.118
where: short stacking energy: -346.301
Base-Backbone interact. energy: -3.910
local terms energy: -414.842268
where:
bonds (distance) C4'-P energy: -91.023
bonds (distance) P-C4' energy: -96.285
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -55.155
tors. eta vs tors. theta energy: -74.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1064.274509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.274509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.274509 (E_RNA)
where:
Base-Base interactions energy: -681.926
where: short stacking energy: -294.731
Base-Backbone interact. energy: 1.102
local terms energy: -383.450183
where:
bonds (distance) C4'-P energy: -76.894
bonds (distance) P-C4' energy: -96.128
flat angles C4'-P-C4' energy: -95.084
flat angles P-C4'-P energy: -59.696
tors. eta vs tors. theta energy: -55.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -832.643457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.643457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.643457 (E_RNA)
where:
Base-Base interactions energy: -490.905
where: short stacking energy: -221.463
Base-Backbone interact. energy: 6.866
local terms energy: -348.604844
where:
bonds (distance) C4'-P energy: -90.160
bonds (distance) P-C4' energy: -97.015
flat angles C4'-P-C4' energy: -70.666
flat angles P-C4'-P energy: -58.965
tors. eta vs tors. theta energy: -31.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1914.889756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.889756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.889756 (E_RNA)
where:
Base-Base interactions energy: -1333.158
where: short stacking energy: -568.208
Base-Backbone interact. energy: -2.215
local terms energy: -579.517041
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -104.897
flat angles C4'-P-C4' energy: -113.383
flat angles P-C4'-P energy: -85.268
tors. eta vs tors. theta energy: -162.195
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1833.525261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.525261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.525261 (E_RNA)
where:
Base-Base interactions energy: -1283.797
where: short stacking energy: -535.893
Base-Backbone interact. energy: -2.841
local terms energy: -546.888112
where:
bonds (distance) C4'-P energy: -97.357
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -120.181
flat angles P-C4'-P energy: -70.724
tors. eta vs tors. theta energy: -154.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1780.661310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.661310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.661310 (E_RNA)
where:
Base-Base interactions energy: -1240.126
where: short stacking energy: -523.330
Base-Backbone interact. energy: -0.728
local terms energy: -539.806884
where:
bonds (distance) C4'-P energy: -99.263
bonds (distance) P-C4' energy: -97.758
flat angles C4'-P-C4' energy: -114.777
flat angles P-C4'-P energy: -76.992
tors. eta vs tors. theta energy: -151.017
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1736.991436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.991436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.991436 (E_RNA)
where:
Base-Base interactions energy: -1192.701
where: short stacking energy: -482.422
Base-Backbone interact. energy: -1.398
local terms energy: -542.892904
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -107.709
flat angles C4'-P-C4' energy: -119.295
flat angles P-C4'-P energy: -70.400
tors. eta vs tors. theta energy: -135.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1654.111986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.111986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.111986 (E_RNA)
where:
Base-Base interactions energy: -1158.723
where: short stacking energy: -455.907
Base-Backbone interact. energy: -0.946
local terms energy: -494.442320
where:
bonds (distance) C4'-P energy: -98.493
bonds (distance) P-C4' energy: -100.411
flat angles C4'-P-C4' energy: -106.639
flat angles P-C4'-P energy: -77.631
tors. eta vs tors. theta energy: -111.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1594.708377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.708377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.708377 (E_RNA)
where:
Base-Base interactions energy: -1126.128
where: short stacking energy: -487.267
Base-Backbone interact. energy: -1.213
local terms energy: -467.367573
where:
bonds (distance) C4'-P energy: -96.623
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -101.055
flat angles P-C4'-P energy: -70.051
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: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1353.186456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.186456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.186456 (E_RNA)
where:
Base-Base interactions energy: -916.254
where: short stacking energy: -406.671
Base-Backbone interact. energy: 4.718
local terms energy: -441.650253
where:
bonds (distance) C4'-P energy: -83.785
bonds (distance) P-C4' energy: -90.480
flat angles C4'-P-C4' energy: -99.933
flat angles P-C4'-P energy: -63.227
tors. eta vs tors. theta energy: -104.226
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: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1196.073562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.073562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.073562 (E_RNA)
where:
Base-Base interactions energy: -783.381
where: short stacking energy: -337.089
Base-Backbone interact. energy: -3.440
local terms energy: -409.252280
where:
bonds (distance) C4'-P energy: -86.565
bonds (distance) P-C4' energy: -94.785
flat angles C4'-P-C4' energy: -104.877
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: -53.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1031.136860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.136860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.136860 (E_RNA)
where:
Base-Base interactions energy: -665.867
where: short stacking energy: -296.353
Base-Backbone interact. energy: 7.454
local terms energy: -372.724241
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -74.679
flat angles C4'-P-C4' energy: -110.361
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -50.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -860.076683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.076683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.076683 (E_RNA)
where:
Base-Base interactions energy: -523.214
where: short stacking energy: -255.872
Base-Backbone interact. energy: -0.926
local terms energy: -335.936811
where:
bonds (distance) C4'-P energy: -78.051
bonds (distance) P-C4' energy: -92.815
flat angles C4'-P-C4' energy: -72.049
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1921.277004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.277004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.277004 (E_RNA)
where:
Base-Base interactions energy: -1375.985
where: short stacking energy: -556.412
Base-Backbone interact. energy: -4.346
local terms energy: -540.945725
where:
bonds (distance) C4'-P energy: -111.597
bonds (distance) P-C4' energy: -94.263
flat angles C4'-P-C4' energy: -109.710
flat angles P-C4'-P energy: -72.950
tors. eta vs tors. theta energy: -152.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1798.829045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.829045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.829045 (E_RNA)
where:
Base-Base interactions energy: -1251.042
where: short stacking energy: -537.925
Base-Backbone interact. energy: -2.876
local terms energy: -544.911473
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -101.161
flat angles C4'-P-C4' energy: -118.676
flat angles P-C4'-P energy: -85.237
tors. eta vs tors. theta energy: -143.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1801.332347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.332347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.332347 (E_RNA)
where:
Base-Base interactions energy: -1256.108
where: short stacking energy: -532.254
Base-Backbone interact. energy: 2.969
local terms energy: -548.193117
where:
bonds (distance) C4'-P energy: -92.198
bonds (distance) P-C4' energy: -101.694
flat angles C4'-P-C4' energy: -121.982
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -150.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1713.474496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.474496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.474496 (E_RNA)
where:
Base-Base interactions energy: -1193.817
where: short stacking energy: -502.127
Base-Backbone interact. energy: -4.206
local terms energy: -515.451818
where:
bonds (distance) C4'-P energy: -100.249
bonds (distance) P-C4' energy: -100.452
flat angles C4'-P-C4' energy: -107.627
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -136.735
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: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1633.059423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.059423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.059423 (E_RNA)
where:
Base-Base interactions energy: -1143.025
where: short stacking energy: -476.422
Base-Backbone interact. energy: -2.055
local terms energy: -487.978622
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -103.009
flat angles P-C4'-P energy: -79.008
tors. eta vs tors. theta energy: -117.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1567.897321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.897321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.897321 (E_RNA)
where:
Base-Base interactions energy: -1131.938
where: short stacking energy: -484.224
Base-Backbone interact. energy: 0.791
local terms energy: -436.751030
where:
bonds (distance) C4'-P energy: -83.843
bonds (distance) P-C4' energy: -75.949
flat angles C4'-P-C4' energy: -109.724
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -123.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1350.444319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.444319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.444319 (E_RNA)
where:
Base-Base interactions energy: -905.110
where: short stacking energy: -393.643
Base-Backbone interact. energy: -2.524
local terms energy: -442.810612
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -96.111
flat angles C4'-P-C4' energy: -103.142
flat angles P-C4'-P energy: -56.683
tors. eta vs tors. theta energy: -99.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1183.842100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.842100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.842100 (E_RNA)
where:
Base-Base interactions energy: -798.467
where: short stacking energy: -347.979
Base-Backbone interact. energy: -2.176
local terms energy: -383.199575
where:
bonds (distance) C4'-P energy: -102.021
bonds (distance) P-C4' energy: -64.680
flat angles C4'-P-C4' energy: -95.722
flat angles P-C4'-P energy: -59.666
tors. eta vs tors. theta energy: -61.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1071.928432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.928432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.928432 (E_RNA)
where:
Base-Base interactions energy: -694.155
where: short stacking energy: -296.629
Base-Backbone interact. energy: -2.524
local terms energy: -375.249093
where:
bonds (distance) C4'-P energy: -89.229
bonds (distance) P-C4' energy: -90.148
flat angles C4'-P-C4' energy: -108.151
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -46.012
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -869.311756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.311756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.311756 (E_RNA)
where:
Base-Base interactions energy: -528.617
where: short stacking energy: -231.369
Base-Backbone interact. energy: -1.533
local terms energy: -339.161605
where:
bonds (distance) C4'-P energy: -73.071
bonds (distance) P-C4' energy: -95.815
flat angles C4'-P-C4' energy: -76.550
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1920.397156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.397156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.397156 (E_RNA)
where:
Base-Base interactions energy: -1329.183
where: short stacking energy: -557.602
Base-Backbone interact. energy: -2.936
local terms energy: -588.277840
where:
bonds (distance) C4'-P energy: -108.086
bonds (distance) P-C4' energy: -109.417
flat angles C4'-P-C4' energy: -125.242
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -162.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1783.145759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.145759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.145759 (E_RNA)
where:
Base-Base interactions energy: -1224.946
where: short stacking energy: -520.867
Base-Backbone interact. energy: -4.274
local terms energy: -553.925560
where:
bonds (distance) C4'-P energy: -97.502
bonds (distance) P-C4' energy: -105.288
flat angles C4'-P-C4' energy: -113.727
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -144.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1767.333621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.333621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.333621 (E_RNA)
where:
Base-Base interactions energy: -1210.902
where: short stacking energy: -521.498
Base-Backbone interact. energy: -2.680
local terms energy: -553.751522
where:
bonds (distance) C4'-P energy: -94.975
bonds (distance) P-C4' energy: -110.618
flat angles C4'-P-C4' energy: -130.395
flat angles P-C4'-P energy: -71.459
tors. eta vs tors. theta energy: -146.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1713.967357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.967357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.967357 (E_RNA)
where:
Base-Base interactions energy: -1231.483
where: short stacking energy: -528.355
Base-Backbone interact. energy: -2.103
local terms energy: -480.381119
where:
bonds (distance) C4'-P energy: -89.253
bonds (distance) P-C4' energy: -86.517
flat angles C4'-P-C4' energy: -106.165
flat angles P-C4'-P energy: -71.583
tors. eta vs tors. theta energy: -126.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1613.501614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.501614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.501614 (E_RNA)
where:
Base-Base interactions energy: -1149.081
where: short stacking energy: -484.374
Base-Backbone interact. energy: -0.186
local terms energy: -464.234749
where:
bonds (distance) C4'-P energy: -93.044
bonds (distance) P-C4' energy: -84.875
flat angles C4'-P-C4' energy: -109.289
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -117.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1555.847764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.847764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.847764 (E_RNA)
where:
Base-Base interactions energy: -1055.732
where: short stacking energy: -438.361
Base-Backbone interact. energy: -3.130
local terms energy: -496.985955
where:
bonds (distance) C4'-P energy: -92.761
bonds (distance) P-C4' energy: -93.590
flat angles C4'-P-C4' energy: -113.878
flat angles P-C4'-P energy: -69.365
tors. eta vs tors. theta energy: -127.393
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1367.367237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.367237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.367237 (E_RNA)
where:
Base-Base interactions energy: -936.123
where: short stacking energy: -408.583
Base-Backbone interact. energy: -2.633
local terms energy: -428.610871
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -88.902
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -67.060
tors. eta vs tors. theta energy: -95.481
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1219.507358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.507358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.507358 (E_RNA)
where:
Base-Base interactions energy: -821.904
where: short stacking energy: -346.635
Base-Backbone interact. energy: 5.429
local terms energy: -403.032963
where:
bonds (distance) C4'-P energy: -96.164
bonds (distance) P-C4' energy: -86.508
flat angles C4'-P-C4' energy: -97.634
flat angles P-C4'-P energy: -50.137
tors. eta vs tors. theta energy: -72.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1089.722595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.722595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.722595 (E_RNA)
where:
Base-Base interactions energy: -716.892
where: short stacking energy: -335.314
Base-Backbone interact. energy: 2.491
local terms energy: -375.321541
where:
bonds (distance) C4'-P energy: -81.430
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -95.978
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -888.374796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.374796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.374796 (E_RNA)
where:
Base-Base interactions energy: -577.055
where: short stacking energy: -259.680
Base-Backbone interact. energy: -3.218
local terms energy: -308.101971
where:
bonds (distance) C4'-P energy: -84.704
bonds (distance) P-C4' energy: -69.610
flat angles C4'-P-C4' energy: -89.970
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -38.546
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: 145
Temperature: 0.900000
Total energy: -1919.955108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.955108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.955108 (E_RNA)
where:
Base-Base interactions energy: -1350.459
where: short stacking energy: -564.464
Base-Backbone interact. energy: -2.029
local terms energy: -567.466596
where:
bonds (distance) C4'-P energy: -92.780
bonds (distance) P-C4' energy: -113.422
flat angles C4'-P-C4' energy: -131.320
flat angles P-C4'-P energy: -79.802
tors. eta vs tors. theta energy: -150.142
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: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1788.076730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.076730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.076730 (E_RNA)
where:
Base-Base interactions energy: -1234.486
where: short stacking energy: -558.904
Base-Backbone interact. energy: -3.595
local terms energy: -549.995924
where:
bonds (distance) C4'-P energy: -103.551
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -127.108
flat angles P-C4'-P energy: -76.615
tors. eta vs tors. theta energy: -145.342
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: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1784.726253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.726253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.726253 (E_RNA)
where:
Base-Base interactions energy: -1254.461
where: short stacking energy: -516.073
Base-Backbone interact. energy: -1.982
local terms energy: -528.282885
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -95.771
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -77.997
tors. eta vs tors. theta energy: -135.121
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: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1744.628781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.628781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.628781 (E_RNA)
where:
Base-Base interactions energy: -1219.943
where: short stacking energy: -496.016
Base-Backbone interact. energy: -4.073
local terms energy: -520.612586
where:
bonds (distance) C4'-P energy: -76.626
bonds (distance) P-C4' energy: -116.236
flat angles C4'-P-C4' energy: -113.731
flat angles P-C4'-P energy: -81.890
tors. eta vs tors. theta energy: -132.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1627.884379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.884379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.884379 (E_RNA)
where:
Base-Base interactions energy: -1139.577
where: short stacking energy: -480.826
Base-Backbone interact. energy: -0.295
local terms energy: -488.012314
where:
bonds (distance) C4'-P energy: -79.360
bonds (distance) P-C4' energy: -88.598
flat angles C4'-P-C4' energy: -116.519
flat angles P-C4'-P energy: -71.246
tors. eta vs tors. theta energy: -132.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1540.623446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.623446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.623446 (E_RNA)
where:
Base-Base interactions energy: -1081.066
where: short stacking energy: -435.862
Base-Backbone interact. energy: -0.866
local terms energy: -458.690842
where:
bonds (distance) C4'-P energy: -89.995
bonds (distance) P-C4' energy: -93.929
flat angles C4'-P-C4' energy: -104.779
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -111.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1329.582565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.582565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.582565 (E_RNA)
where:
Base-Base interactions energy: -930.625
where: short stacking energy: -371.559
Base-Backbone interact. energy: -3.429
local terms energy: -395.528902
where:
bonds (distance) C4'-P energy: -93.703
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -97.122
flat angles P-C4'-P energy: -63.457
tors. eta vs tors. theta energy: -63.415
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: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1260.487384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.487384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.487384 (E_RNA)
where:
Base-Base interactions energy: -837.364
where: short stacking energy: -356.210
Base-Backbone interact. energy: -3.986
local terms energy: -419.137141
where:
bonds (distance) C4'-P energy: -98.420
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -88.225
flat angles P-C4'-P energy: -54.009
tors. eta vs tors. theta energy: -77.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1103.796872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.796872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.796872 (E_RNA)
where:
Base-Base interactions energy: -698.146
where: short stacking energy: -297.250
Base-Backbone interact. energy: 0.657
local terms energy: -406.308629
where:
bonds (distance) C4'-P energy: -83.945
bonds (distance) P-C4' energy: -98.986
flat angles C4'-P-C4' energy: -95.503
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -64.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -886.084908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.084908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.084908 (E_RNA)
where:
Base-Base interactions energy: -552.389
where: short stacking energy: -251.424
Base-Backbone interact. energy: -1.581
local terms energy: -332.114036
where:
bonds (distance) C4'-P energy: -72.236
bonds (distance) P-C4' energy: -85.361
flat angles C4'-P-C4' energy: -90.216
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: -37.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1926.833465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.833465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.833465 (E_RNA)
where:
Base-Base interactions energy: -1345.074
where: short stacking energy: -581.656
Base-Backbone interact. energy: -2.334
local terms energy: -579.425488
where:
bonds (distance) C4'-P energy: -104.460
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -123.734
flat angles P-C4'-P energy: -85.087
tors. eta vs tors. theta energy: -156.346
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: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1792.270227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.270227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.270227 (E_RNA)
where:
Base-Base interactions energy: -1246.165
where: short stacking energy: -519.895
Base-Backbone interact. energy: -4.272
local terms energy: -541.833472
where:
bonds (distance) C4'-P energy: -104.988
bonds (distance) P-C4' energy: -107.391
flat angles C4'-P-C4' energy: -115.389
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -142.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1765.138451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.138451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.138451 (E_RNA)
where:
Base-Base interactions energy: -1223.393
where: short stacking energy: -514.307
Base-Backbone interact. energy: -0.349
local terms energy: -541.396105
where:
bonds (distance) C4'-P energy: -95.383
bonds (distance) P-C4' energy: -115.587
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -67.517
tors. eta vs tors. theta energy: -148.351
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1728.821821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.821821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.821821 (E_RNA)
where:
Base-Base interactions energy: -1198.903
where: short stacking energy: -499.339
Base-Backbone interact. energy: -2.022
local terms energy: -527.897396
where:
bonds (distance) C4'-P energy: -107.749
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -120.198
flat angles P-C4'-P energy: -73.604
tors. eta vs tors. theta energy: -128.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1628.290318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.290318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.290318 (E_RNA)
where:
Base-Base interactions energy: -1104.363
where: short stacking energy: -488.844
Base-Backbone interact. energy: 1.606
local terms energy: -525.533477
where:
bonds (distance) C4'-P energy: -98.482
bonds (distance) P-C4' energy: -96.385
flat angles C4'-P-C4' energy: -122.129
flat angles P-C4'-P energy: -74.087
tors. eta vs tors. theta energy: -134.450
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1550.945257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.945257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.945257 (E_RNA)
where:
Base-Base interactions energy: -1092.135
where: short stacking energy: -427.809
Base-Backbone interact. energy: 0.313
local terms energy: -459.123586
where:
bonds (distance) C4'-P energy: -78.550
bonds (distance) P-C4' energy: -96.865
flat angles C4'-P-C4' energy: -118.329
flat angles P-C4'-P energy: -63.808
tors. eta vs tors. theta energy: -101.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1338.246359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.246359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.246359 (E_RNA)
where:
Base-Base interactions energy: -937.479
where: short stacking energy: -395.398
Base-Backbone interact. energy: -1.461
local terms energy: -399.306574
where:
bonds (distance) C4'-P energy: -84.331
bonds (distance) P-C4' energy: -71.591
flat angles C4'-P-C4' energy: -91.293
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -91.665
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: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1254.428368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.428368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.428368 (E_RNA)
where:
Base-Base interactions energy: -830.611
where: short stacking energy: -359.242
Base-Backbone interact. energy: 0.544
local terms energy: -424.360898
where:
bonds (distance) C4'-P energy: -101.630
bonds (distance) P-C4' energy: -93.261
flat angles C4'-P-C4' energy: -91.189
flat angles P-C4'-P energy: -60.322
tors. eta vs tors. theta energy: -77.959
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: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1084.000719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.000719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.000719 (E_RNA)
where:
Base-Base interactions energy: -715.919
where: short stacking energy: -316.016
Base-Backbone interact. energy: 3.007
local terms energy: -371.088322
where:
bonds (distance) C4'-P energy: -102.232
bonds (distance) P-C4' energy: -70.182
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -55.211
tors. eta vs tors. theta energy: -50.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -810.140082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.140082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.140082 (E_RNA)
where:
Base-Base interactions energy: -515.561
where: short stacking energy: -237.572
Base-Backbone interact. energy: 2.221
local terms energy: -296.800220
where:
bonds (distance) C4'-P energy: -66.660
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -88.571
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1937.976642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.976642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.976642 (E_RNA)
where:
Base-Base interactions energy: -1358.966
where: short stacking energy: -565.426
Base-Backbone interact. energy: -2.228
local terms energy: -576.782764
where:
bonds (distance) C4'-P energy: -102.556
bonds (distance) P-C4' energy: -112.045
flat angles C4'-P-C4' energy: -121.869
flat angles P-C4'-P energy: -85.954
tors. eta vs tors. theta energy: -154.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1790.948282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.948282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.948282 (E_RNA)
where:
Base-Base interactions energy: -1210.561
where: short stacking energy: -530.657
Base-Backbone interact. energy: -0.747
local terms energy: -579.640334
where:
bonds (distance) C4'-P energy: -104.636
bonds (distance) P-C4' energy: -110.511
flat angles C4'-P-C4' energy: -121.470
flat angles P-C4'-P energy: -89.810
tors. eta vs tors. theta energy: -153.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1766.032672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.032672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.032672 (E_RNA)
where:
Base-Base interactions energy: -1221.980
where: short stacking energy: -518.484
Base-Backbone interact. energy: -2.946
local terms energy: -541.106532
where:
bonds (distance) C4'-P energy: -104.176
bonds (distance) P-C4' energy: -109.192
flat angles C4'-P-C4' energy: -117.515
flat angles P-C4'-P energy: -66.011
tors. eta vs tors. theta energy: -144.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1733.031554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.031554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.031554 (E_RNA)
where:
Base-Base interactions energy: -1226.607
where: short stacking energy: -484.440
Base-Backbone interact. energy: 0.551
local terms energy: -506.976363
where:
bonds (distance) C4'-P energy: -111.734
bonds (distance) P-C4' energy: -88.513
flat angles C4'-P-C4' energy: -107.674
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -132.068
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1586.898173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.898173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.898173 (E_RNA)
where:
Base-Base interactions energy: -1106.182
where: short stacking energy: -456.499
Base-Backbone interact. energy: -5.015
local terms energy: -475.701305
where:
bonds (distance) C4'-P energy: -104.651
bonds (distance) P-C4' energy: -92.989
flat angles C4'-P-C4' energy: -110.146
flat angles P-C4'-P energy: -64.559
tors. eta vs tors. theta energy: -103.356
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1580.229410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.229410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.229410 (E_RNA)
where:
Base-Base interactions energy: -1122.688
where: short stacking energy: -454.349
Base-Backbone interact. energy: 0.993
local terms energy: -458.534052
where:
bonds (distance) C4'-P energy: -81.789
bonds (distance) P-C4' energy: -93.202
flat angles C4'-P-C4' energy: -102.379
flat angles P-C4'-P energy: -63.311
tors. eta vs tors. theta energy: -117.854
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: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1315.452418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.452418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.452418 (E_RNA)
where:
Base-Base interactions energy: -889.441
where: short stacking energy: -371.457
Base-Backbone interact. energy: 1.155
local terms energy: -427.165978
where:
bonds (distance) C4'-P energy: -90.694
bonds (distance) P-C4' energy: -102.350
flat angles C4'-P-C4' energy: -98.278
flat angles P-C4'-P energy: -57.000
tors. eta vs tors. theta energy: -78.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1288.442308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.442308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.442308 (E_RNA)
where:
Base-Base interactions energy: -835.134
where: short stacking energy: -370.498
Base-Backbone interact. energy: 2.243
local terms energy: -455.551278
where:
bonds (distance) C4'-P energy: -93.444
bonds (distance) P-C4' energy: -96.604
flat angles C4'-P-C4' energy: -99.824
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -88.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1074.180806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.180806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.180806 (E_RNA)
where:
Base-Base interactions energy: -675.404
where: short stacking energy: -295.486
Base-Backbone interact. energy: -0.268
local terms energy: -398.508702
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -102.774
flat angles P-C4'-P energy: -60.153
tors. eta vs tors. theta energy: -65.633
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: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -806.324854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.324854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.324854 (E_RNA)
where:
Base-Base interactions energy: -434.892
where: short stacking energy: -222.698
Base-Backbone interact. energy: -1.993
local terms energy: -369.440491
where:
bonds (distance) C4'-P energy: -95.039
bonds (distance) P-C4' energy: -103.734
flat angles C4'-P-C4' energy: -97.810
flat angles P-C4'-P energy: -53.119
tors. eta vs tors. theta energy: -19.739
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: 148
Temperature: 0.900000
Total energy: -1922.670432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.670432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.670432 (E_RNA)
where:
Base-Base interactions energy: -1325.991
where: short stacking energy: -547.651
Base-Backbone interact. energy: -0.863
local terms energy: -595.816871
where:
bonds (distance) C4'-P energy: -104.006
bonds (distance) P-C4' energy: -112.098
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -92.295
tors. eta vs tors. theta energy: -160.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1794.704692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.704692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.704692 (E_RNA)
where:
Base-Base interactions energy: -1242.274
where: short stacking energy: -508.841
Base-Backbone interact. energy: 5.016
local terms energy: -557.445965
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -114.552
flat angles C4'-P-C4' energy: -108.522
flat angles P-C4'-P energy: -75.945
tors. eta vs tors. theta energy: -150.677
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: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1767.350992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.350992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.350992 (E_RNA)
where:
Base-Base interactions energy: -1219.020
where: short stacking energy: -505.023
Base-Backbone interact. energy: -0.014
local terms energy: -548.316983
where:
bonds (distance) C4'-P energy: -99.410
bonds (distance) P-C4' energy: -114.501
flat angles C4'-P-C4' energy: -117.746
flat angles P-C4'-P energy: -70.329
tors. eta vs tors. theta energy: -146.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1727.059879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.059879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.059879 (E_RNA)
where:
Base-Base interactions energy: -1226.083
where: short stacking energy: -501.111
Base-Backbone interact. energy: 1.022
local terms energy: -501.998900
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -99.365
flat angles C4'-P-C4' energy: -111.153
flat angles P-C4'-P energy: -70.473
tors. eta vs tors. theta energy: -128.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1642.490181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.490181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.490181 (E_RNA)
where:
Base-Base interactions energy: -1142.718
where: short stacking energy: -465.007
Base-Backbone interact. energy: 3.594
local terms energy: -503.366389
where:
bonds (distance) C4'-P energy: -97.737
bonds (distance) P-C4' energy: -94.891
flat angles C4'-P-C4' energy: -112.045
flat angles P-C4'-P energy: -68.593
tors. eta vs tors. theta energy: -130.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1574.606484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.606484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.606484 (E_RNA)
where:
Base-Base interactions energy: -1082.980
where: short stacking energy: -443.512
Base-Backbone interact. energy: -2.915
local terms energy: -488.711570
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -89.722
flat angles C4'-P-C4' energy: -116.938
flat angles P-C4'-P energy: -67.083
tors. eta vs tors. theta energy: -116.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1364.338958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.338958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.338958 (E_RNA)
where:
Base-Base interactions energy: -931.938
where: short stacking energy: -393.036
Base-Backbone interact. energy: 1.020
local terms energy: -433.421396
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -90.306
flat angles C4'-P-C4' energy: -91.372
flat angles P-C4'-P energy: -58.622
tors. eta vs tors. theta energy: -101.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1232.932966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.932966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.932966 (E_RNA)
where:
Base-Base interactions energy: -829.188
where: short stacking energy: -356.029
Base-Backbone interact. energy: -1.194
local terms energy: -402.550180
where:
bonds (distance) C4'-P energy: -93.486
bonds (distance) P-C4' energy: -91.321
flat angles C4'-P-C4' energy: -81.335
flat angles P-C4'-P energy: -56.944
tors. eta vs tors. theta energy: -79.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1018.012370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.012370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.012370 (E_RNA)
where:
Base-Base interactions energy: -665.341
where: short stacking energy: -275.927
Base-Backbone interact. energy: -0.265
local terms energy: -352.406325
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -82.509
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -38.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -718.999943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.999943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.999943 (E_RNA)
where:
Base-Base interactions energy: -427.545
where: short stacking energy: -211.231
Base-Backbone interact. energy: -0.018
local terms energy: -291.437492
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -89.404
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1905.678285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.678285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.678285 (E_RNA)
where:
Base-Base interactions energy: -1336.734
where: short stacking energy: -554.012
Base-Backbone interact. energy: -4.561
local terms energy: -564.382880
where:
bonds (distance) C4'-P energy: -105.995
bonds (distance) P-C4' energy: -118.383
flat angles C4'-P-C4' energy: -115.629
flat angles P-C4'-P energy: -86.070
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1842.772122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.772122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.772122 (E_RNA)
where:
Base-Base interactions energy: -1288.153
where: short stacking energy: -547.503
Base-Backbone interact. energy: -3.070
local terms energy: -551.548676
where:
bonds (distance) C4'-P energy: -97.575
bonds (distance) P-C4' energy: -96.311
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -87.284
tors. eta vs tors. theta energy: -155.023
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1791.357348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.357348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.357348 (E_RNA)
where:
Base-Base interactions energy: -1255.928
where: short stacking energy: -538.495
Base-Backbone interact. energy: -3.183
local terms energy: -532.246629
where:
bonds (distance) C4'-P energy: -98.346
bonds (distance) P-C4' energy: -113.181
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -69.908
tors. eta vs tors. theta energy: -136.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1715.136793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.136793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.136793 (E_RNA)
where:
Base-Base interactions energy: -1214.147
where: short stacking energy: -493.129
Base-Backbone interact. energy: -0.855
local terms energy: -500.134968
where:
bonds (distance) C4'-P energy: -97.508
bonds (distance) P-C4' energy: -91.498
flat angles C4'-P-C4' energy: -111.343
flat angles P-C4'-P energy: -63.991
tors. eta vs tors. theta energy: -135.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1626.881947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.881947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.881947 (E_RNA)
where:
Base-Base interactions energy: -1131.455
where: short stacking energy: -495.561
Base-Backbone interact. energy: 0.570
local terms energy: -495.996829
where:
bonds (distance) C4'-P energy: -84.866
bonds (distance) P-C4' energy: -97.175
flat angles C4'-P-C4' energy: -106.810
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -136.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1591.437108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.437108 (E_RNA)
where:
Base-Base interactions energy: -1112.239
where: short stacking energy: -439.771
Base-Backbone interact. energy: -2.885
local terms energy: -476.313257
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -102.111
flat angles P-C4'-P energy: -67.287
tors. eta vs tors. theta energy: -117.344
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: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1353.225293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.225293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.225293 (E_RNA)
where:
Base-Base interactions energy: -918.501
where: short stacking energy: -385.675
Base-Backbone interact. energy: -2.035
local terms energy: -432.690017
where:
bonds (distance) C4'-P energy: -85.970
bonds (distance) P-C4' energy: -108.541
flat angles C4'-P-C4' energy: -82.546
flat angles P-C4'-P energy: -72.794
tors. eta vs tors. theta energy: -82.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1222.425526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.425526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.425526 (E_RNA)
where:
Base-Base interactions energy: -834.129
where: short stacking energy: -364.951
Base-Backbone interact. energy: -0.749
local terms energy: -387.546853
where:
bonds (distance) C4'-P energy: -82.805
bonds (distance) P-C4' energy: -76.572
flat angles C4'-P-C4' energy: -86.333
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -84.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1027.529837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.529837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.529837 (E_RNA)
where:
Base-Base interactions energy: -672.130
where: short stacking energy: -300.133
Base-Backbone interact. energy: -2.523
local terms energy: -352.876518
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -89.140
flat angles C4'-P-C4' energy: -78.527
flat angles P-C4'-P energy: -44.108
tors. eta vs tors. theta energy: -49.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -774.240008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.240008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.240008 (E_RNA)
where:
Base-Base interactions energy: -453.225
where: short stacking energy: -207.074
Base-Backbone interact. energy: 2.167
local terms energy: -323.181446
where:
bonds (distance) C4'-P energy: -62.547
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -93.053
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -32.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1911.268798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.268798 (E_RNA)
where:
Base-Base interactions energy: -1335.909
where: short stacking energy: -550.343
Base-Backbone interact. energy: -1.888
local terms energy: -573.472593
where:
bonds (distance) C4'-P energy: -107.647
bonds (distance) P-C4' energy: -107.996
flat angles C4'-P-C4' energy: -117.324
flat angles P-C4'-P energy: -83.227
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1847.633723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.633723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.633723 (E_RNA)
where:
Base-Base interactions energy: -1276.287
where: short stacking energy: -534.834
Base-Backbone interact. energy: -0.058
local terms energy: -571.287923
where:
bonds (distance) C4'-P energy: -106.764
bonds (distance) P-C4' energy: -116.076
flat angles C4'-P-C4' energy: -119.531
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -148.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1752.651956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.651956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.651956 (E_RNA)
where:
Base-Base interactions energy: -1208.832
where: short stacking energy: -489.885
Base-Backbone interact. energy: -2.246
local terms energy: -541.574067
where:
bonds (distance) C4'-P energy: -99.368
bonds (distance) P-C4' energy: -106.607
flat angles C4'-P-C4' energy: -116.834
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -141.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1731.076336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.076336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.076336 (E_RNA)
where:
Base-Base interactions energy: -1234.130
where: short stacking energy: -524.348
Base-Backbone interact. energy: -1.153
local terms energy: -495.793343
where:
bonds (distance) C4'-P energy: -83.696
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -74.610
tors. eta vs tors. theta energy: -130.365
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: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1633.451580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.451580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.451580 (E_RNA)
where:
Base-Base interactions energy: -1150.799
where: short stacking energy: -461.270
Base-Backbone interact. energy: -1.546
local terms energy: -481.106567
where:
bonds (distance) C4'-P energy: -91.800
bonds (distance) P-C4' energy: -96.370
flat angles C4'-P-C4' energy: -94.703
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -120.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1582.617270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.617270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.617270 (E_RNA)
where:
Base-Base interactions energy: -1090.826
where: short stacking energy: -472.447
Base-Backbone interact. energy: -3.059
local terms energy: -488.731807
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -90.019
flat angles C4'-P-C4' energy: -113.359
flat angles P-C4'-P energy: -69.005
tors. eta vs tors. theta energy: -122.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1352.580432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.580432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.580432 (E_RNA)
where:
Base-Base interactions energy: -927.631
where: short stacking energy: -380.887
Base-Backbone interact. energy: 0.521
local terms energy: -425.469987
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -99.278
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -91.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1223.588795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.588795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.588795 (E_RNA)
where:
Base-Base interactions energy: -813.832
where: short stacking energy: -329.803
Base-Backbone interact. energy: -1.037
local terms energy: -408.719762
where:
bonds (distance) C4'-P energy: -96.570
bonds (distance) P-C4' energy: -100.490
flat angles C4'-P-C4' energy: -97.044
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -66.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1041.612210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.612210 (E_RNA)
where:
Base-Base interactions energy: -632.784
where: short stacking energy: -282.018
Base-Backbone interact. energy: -3.289
local terms energy: -405.538594
where:
bonds (distance) C4'-P energy: -98.266
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -98.123
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -55.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -822.709077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.709077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.709077 (E_RNA)
where:
Base-Base interactions energy: -475.444
where: short stacking energy: -244.134
Base-Backbone interact. energy: 2.268
local terms energy: -349.533428
where:
bonds (distance) C4'-P energy: -102.908
bonds (distance) P-C4' energy: -93.710
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -48.111
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: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1888.963011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.963011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.963011 (E_RNA)
where:
Base-Base interactions energy: -1307.145
where: short stacking energy: -535.837
Base-Backbone interact. energy: -1.392
local terms energy: -580.426130
where:
bonds (distance) C4'-P energy: -116.764
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -120.751
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -156.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1839.840459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.840459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.840459 (E_RNA)
where:
Base-Base interactions energy: -1277.396
where: short stacking energy: -532.847
Base-Backbone interact. energy: -2.494
local terms energy: -559.950275
where:
bonds (distance) C4'-P energy: -109.338
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -110.974
flat angles P-C4'-P energy: -86.234
tors. eta vs tors. theta energy: -155.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1792.760121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.760121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.760121 (E_RNA)
where:
Base-Base interactions energy: -1259.198
where: short stacking energy: -513.770
Base-Backbone interact. energy: -0.825
local terms energy: -532.737234
where:
bonds (distance) C4'-P energy: -97.378
bonds (distance) P-C4' energy: -100.598
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -80.705
tors. eta vs tors. theta energy: -141.481
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1703.287168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.287168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.287168 (E_RNA)
where:
Base-Base interactions energy: -1219.340
where: short stacking energy: -492.539
Base-Backbone interact. energy: -3.380
local terms energy: -480.566587
where:
bonds (distance) C4'-P energy: -93.910
bonds (distance) P-C4' energy: -88.887
flat angles C4'-P-C4' energy: -111.315
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -126.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1629.243395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.243395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.243395 (E_RNA)
where:
Base-Base interactions energy: -1134.159
where: short stacking energy: -470.390
Base-Backbone interact. energy: -2.195
local terms energy: -492.889131
where:
bonds (distance) C4'-P energy: -111.738
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -113.213
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -108.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1553.440813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.440813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.440813 (E_RNA)
where:
Base-Base interactions energy: -1073.274
where: short stacking energy: -464.434
Base-Backbone interact. energy: -2.253
local terms energy: -477.914479
where:
bonds (distance) C4'-P energy: -87.670
bonds (distance) P-C4' energy: -96.226
flat angles C4'-P-C4' energy: -112.858
flat angles P-C4'-P energy: -62.724
tors. eta vs tors. theta energy: -118.435
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: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1381.784838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.784838 (E_RNA)
where:
Base-Base interactions energy: -931.911
where: short stacking energy: -385.866
Base-Backbone interact. energy: -1.852
local terms energy: -448.022597
where:
bonds (distance) C4'-P energy: -88.547
bonds (distance) P-C4' energy: -94.146
flat angles C4'-P-C4' energy: -105.881
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -85.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1221.386566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.386566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.386566 (E_RNA)
where:
Base-Base interactions energy: -826.330
where: short stacking energy: -345.583
Base-Backbone interact. energy: 2.589
local terms energy: -397.645071
where:
bonds (distance) C4'-P energy: -89.104
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -90.253
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -65.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1057.537112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.537112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.537112 (E_RNA)
where:
Base-Base interactions energy: -679.345
where: short stacking energy: -286.997
Base-Backbone interact. energy: 1.245
local terms energy: -379.437132
where:
bonds (distance) C4'-P energy: -98.577
bonds (distance) P-C4' energy: -106.563
flat angles C4'-P-C4' energy: -80.185
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -45.751
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: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -813.168194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.168194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.168194 (E_RNA)
where:
Base-Base interactions energy: -456.186
where: short stacking energy: -231.359
Base-Backbone interact. energy: 1.246
local terms energy: -358.228090
where:
bonds (distance) C4'-P energy: -71.764
bonds (distance) P-C4' energy: -96.213
flat angles C4'-P-C4' energy: -81.254
flat angles P-C4'-P energy: -54.514
tors. eta vs tors. theta energy: -54.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1906.974275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.974275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.974275 (E_RNA)
where:
Base-Base interactions energy: -1326.331
where: short stacking energy: -573.272
Base-Backbone interact. energy: -2.768
local terms energy: -577.875142
where:
bonds (distance) C4'-P energy: -90.258
bonds (distance) P-C4' energy: -109.142
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -83.229
tors. eta vs tors. theta energy: -168.046
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: 152
Temperature: 0.950000
Total energy: -1845.326060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.326060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.326060 (E_RNA)
where:
Base-Base interactions energy: -1300.341
where: short stacking energy: -549.176
Base-Backbone interact. energy: 0.553
local terms energy: -545.538812
where:
bonds (distance) C4'-P energy: -90.514
bonds (distance) P-C4' energy: -105.315
flat angles C4'-P-C4' energy: -120.839
flat angles P-C4'-P energy: -80.513
tors. eta vs tors. theta energy: -148.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1757.894130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.894130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.894130 (E_RNA)
where:
Base-Base interactions energy: -1225.406
where: short stacking energy: -502.456
Base-Backbone interact. energy: -2.152
local terms energy: -530.336514
where:
bonds (distance) C4'-P energy: -94.359
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -116.306
flat angles P-C4'-P energy: -69.341
tors. eta vs tors. theta energy: -140.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1700.860766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.860766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.860766 (E_RNA)
where:
Base-Base interactions energy: -1180.033
where: short stacking energy: -467.358
Base-Backbone interact. energy: 1.692
local terms energy: -522.520109
where:
bonds (distance) C4'-P energy: -94.833
bonds (distance) P-C4' energy: -107.777
flat angles C4'-P-C4' energy: -113.693
flat angles P-C4'-P energy: -75.446
tors. eta vs tors. theta energy: -130.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1606.237240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.237240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.237240 (E_RNA)
where:
Base-Base interactions energy: -1103.566
where: short stacking energy: -460.144
Base-Backbone interact. energy: -1.445
local terms energy: -501.226147
where:
bonds (distance) C4'-P energy: -95.223
bonds (distance) P-C4' energy: -106.840
flat angles C4'-P-C4' energy: -107.659
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -118.423
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1570.200494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.200494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.200494 (E_RNA)
where:
Base-Base interactions energy: -1077.537
where: short stacking energy: -452.347
Base-Backbone interact. energy: -2.062
local terms energy: -490.601212
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -94.959
flat angles C4'-P-C4' energy: -112.208
flat angles P-C4'-P energy: -73.240
tors. eta vs tors. theta energy: -113.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1311.569653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.569653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.569653 (E_RNA)
where:
Base-Base interactions energy: -893.428
where: short stacking energy: -371.311
Base-Backbone interact. energy: 0.965
local terms energy: -419.106199
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -95.134
flat angles C4'-P-C4' energy: -95.766
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -80.460
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: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1239.925650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.925650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.925650 (E_RNA)
where:
Base-Base interactions energy: -816.002
where: short stacking energy: -329.716
Base-Backbone interact. energy: -2.298
local terms energy: -421.625181
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -78.513
flat angles C4'-P-C4' energy: -106.877
flat angles P-C4'-P energy: -64.896
tors. eta vs tors. theta energy: -71.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1082.212250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.212250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.212250 (E_RNA)
where:
Base-Base interactions energy: -692.045
where: short stacking energy: -315.024
Base-Backbone interact. energy: 2.100
local terms energy: -392.267990
where:
bonds (distance) C4'-P energy: -83.487
bonds (distance) P-C4' energy: -100.755
flat angles C4'-P-C4' energy: -87.987
flat angles P-C4'-P energy: -60.335
tors. eta vs tors. theta energy: -59.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -813.823506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.823506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.823506 (E_RNA)
where:
Base-Base interactions energy: -493.800
where: short stacking energy: -222.912
Base-Backbone interact. energy: -1.318
local terms energy: -318.705446
where:
bonds (distance) C4'-P energy: -75.864
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -34.402
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: 153
Temperature: 0.900000
Total energy: -1883.338218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.338218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.338218 (E_RNA)
where:
Base-Base interactions energy: -1320.292
where: short stacking energy: -553.979
Base-Backbone interact. energy: -2.610
local terms energy: -560.436260
where:
bonds (distance) C4'-P energy: -99.039
bonds (distance) P-C4' energy: -113.266
flat angles C4'-P-C4' energy: -119.086
flat angles P-C4'-P energy: -78.404
tors. eta vs tors. theta energy: -150.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1845.870588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.870588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.870588 (E_RNA)
where:
Base-Base interactions energy: -1282.748
where: short stacking energy: -520.206
Base-Backbone interact. energy: -4.090
local terms energy: -559.031911
where:
bonds (distance) C4'-P energy: -101.893
bonds (distance) P-C4' energy: -107.476
flat angles C4'-P-C4' energy: -120.451
flat angles P-C4'-P energy: -76.515
tors. eta vs tors. theta energy: -152.697
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: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1819.303291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.303291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.303291 (E_RNA)
where:
Base-Base interactions energy: -1269.930
where: short stacking energy: -532.019
Base-Backbone interact. energy: -0.804
local terms energy: -548.569294
where:
bonds (distance) C4'-P energy: -93.755
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -124.238
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -145.501
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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1685.374519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.374519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.374519 (E_RNA)
where:
Base-Base interactions energy: -1168.782
where: short stacking energy: -482.224
Base-Backbone interact. energy: -3.048
local terms energy: -513.544733
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -103.402
flat angles C4'-P-C4' energy: -107.438
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -123.002
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1646.106564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.106564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.106564 (E_RNA)
where:
Base-Base interactions energy: -1158.549
where: short stacking energy: -490.330
Base-Backbone interact. energy: -0.644
local terms energy: -486.913155
where:
bonds (distance) C4'-P energy: -83.304
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -111.242
flat angles P-C4'-P energy: -74.797
tors. eta vs tors. theta energy: -122.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1579.643860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.643860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.643860 (E_RNA)
where:
Base-Base interactions energy: -1109.783
where: short stacking energy: -438.187
Base-Backbone interact. energy: 4.531
local terms energy: -474.392669
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -107.393
flat angles P-C4'-P energy: -68.383
tors. eta vs tors. theta energy: -118.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1279.085585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.085585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.085585 (E_RNA)
where:
Base-Base interactions energy: -870.127
where: short stacking energy: -378.640
Base-Backbone interact. energy: -0.205
local terms energy: -408.753850
where:
bonds (distance) C4'-P energy: -93.173
bonds (distance) P-C4' energy: -102.110
flat angles C4'-P-C4' energy: -83.086
flat angles P-C4'-P energy: -51.202
tors. eta vs tors. theta energy: -79.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1275.657949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.657949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.657949 (E_RNA)
where:
Base-Base interactions energy: -864.691
where: short stacking energy: -363.404
Base-Backbone interact. energy: -0.826
local terms energy: -410.140650
where:
bonds (distance) C4'-P energy: -78.765
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -101.654
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -80.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1036.244849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.244849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.244849 (E_RNA)
where:
Base-Base interactions energy: -681.269
where: short stacking energy: -290.129
Base-Backbone interact. energy: 2.228
local terms energy: -357.203877
where:
bonds (distance) C4'-P energy: -90.640
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -80.393
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -42.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -819.262838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.262838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.262838 (E_RNA)
where:
Base-Base interactions energy: -487.239
where: short stacking energy: -228.141
Base-Backbone interact. energy: 0.270
local terms energy: -332.293902
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -85.141
flat angles P-C4'-P energy: -50.576
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1897.269898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.269898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.269898 (E_RNA)
where:
Base-Base interactions energy: -1310.929
where: short stacking energy: -550.682
Base-Backbone interact. energy: -0.796
local terms energy: -585.544195
where:
bonds (distance) C4'-P energy: -110.684
bonds (distance) P-C4' energy: -108.273
flat angles C4'-P-C4' energy: -118.038
flat angles P-C4'-P energy: -90.524
tors. eta vs tors. theta energy: -158.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1817.914967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.914967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.914967 (E_RNA)
where:
Base-Base interactions energy: -1259.794
where: short stacking energy: -529.860
Base-Backbone interact. energy: -3.729
local terms energy: -554.392114
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -110.074
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -143.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1768.738893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.738893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.738893 (E_RNA)
where:
Base-Base interactions energy: -1213.999
where: short stacking energy: -504.714
Base-Backbone interact. energy: 1.023
local terms energy: -555.762479
where:
bonds (distance) C4'-P energy: -98.076
bonds (distance) P-C4' energy: -113.204
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -82.813
tors. eta vs tors. theta energy: -140.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1705.678909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.678909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.678909 (E_RNA)
where:
Base-Base interactions energy: -1210.810
where: short stacking energy: -499.838
Base-Backbone interact. energy: -0.298
local terms energy: -494.571403
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -90.264
flat angles C4'-P-C4' energy: -119.429
flat angles P-C4'-P energy: -84.203
tors. eta vs tors. theta energy: -126.169
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: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1640.506636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.506636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.506636 (E_RNA)
where:
Base-Base interactions energy: -1166.088
where: short stacking energy: -463.251
Base-Backbone interact. energy: -2.560
local terms energy: -471.858829
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -95.483
flat angles C4'-P-C4' energy: -103.964
flat angles P-C4'-P energy: -60.457
tors. eta vs tors. theta energy: -130.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1666.288083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.288083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.288083 (E_RNA)
where:
Base-Base interactions energy: -1152.987
where: short stacking energy: -490.171
Base-Backbone interact. energy: -1.676
local terms energy: -511.625227
where:
bonds (distance) C4'-P energy: -109.052
bonds (distance) P-C4' energy: -98.027
flat angles C4'-P-C4' energy: -115.028
flat angles P-C4'-P energy: -68.794
tors. eta vs tors. theta energy: -120.723
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1284.011608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.011608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.011608 (E_RNA)
where:
Base-Base interactions energy: -871.102
where: short stacking energy: -392.712
Base-Backbone interact. energy: 0.004
local terms energy: -412.913629
where:
bonds (distance) C4'-P energy: -96.468
bonds (distance) P-C4' energy: -84.640
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -52.630
tors. eta vs tors. theta energy: -83.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1277.673538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.673538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.673538 (E_RNA)
where:
Base-Base interactions energy: -867.898
where: short stacking energy: -384.727
Base-Backbone interact. energy: -1.158
local terms energy: -408.616824
where:
bonds (distance) C4'-P energy: -88.718
bonds (distance) P-C4' energy: -79.693
flat angles C4'-P-C4' energy: -98.677
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -84.710
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: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1071.760051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.760051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.760051 (E_RNA)
where:
Base-Base interactions energy: -705.967
where: short stacking energy: -323.936
Base-Backbone interact. energy: 0.983
local terms energy: -366.776502
where:
bonds (distance) C4'-P energy: -76.001
bonds (distance) P-C4' energy: -71.261
flat angles C4'-P-C4' energy: -95.500
flat angles P-C4'-P energy: -62.976
tors. eta vs tors. theta energy: -61.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -797.655899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.655899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.655899 (E_RNA)
where:
Base-Base interactions energy: -468.288
where: short stacking energy: -223.686
Base-Backbone interact. energy: 2.216
local terms energy: -331.583695
where:
bonds (distance) C4'-P energy: -77.532
bonds (distance) P-C4' energy: -91.281
flat angles C4'-P-C4' energy: -75.837
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -38.661
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1921.917312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.917312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.917312 (E_RNA)
where:
Base-Base interactions energy: -1347.869
where: short stacking energy: -576.605
Base-Backbone interact. energy: -3.071
local terms energy: -570.977429
where:
bonds (distance) C4'-P energy: -97.613
bonds (distance) P-C4' energy: -106.061
flat angles C4'-P-C4' energy: -115.464
flat angles P-C4'-P energy: -90.242
tors. eta vs tors. theta energy: -161.598
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: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1815.517947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.517947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.517947 (E_RNA)
where:
Base-Base interactions energy: -1260.816
where: short stacking energy: -513.233
Base-Backbone interact. energy: 1.120
local terms energy: -555.821561
where:
bonds (distance) C4'-P energy: -98.389
bonds (distance) P-C4' energy: -101.062
flat angles C4'-P-C4' energy: -129.150
flat angles P-C4'-P energy: -85.792
tors. eta vs tors. theta energy: -141.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1784.294022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.294022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.294022 (E_RNA)
where:
Base-Base interactions energy: -1226.787
where: short stacking energy: -514.634
Base-Backbone interact. energy: 4.695
local terms energy: -562.201973
where:
bonds (distance) C4'-P energy: -106.904
bonds (distance) P-C4' energy: -109.689
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -82.787
tors. eta vs tors. theta energy: -144.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1711.572718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.572718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.572718 (E_RNA)
where:
Base-Base interactions energy: -1213.555
where: short stacking energy: -482.216
Base-Backbone interact. energy: 1.489
local terms energy: -499.506929
where:
bonds (distance) C4'-P energy: -87.734
bonds (distance) P-C4' energy: -93.895
flat angles C4'-P-C4' energy: -104.282
flat angles P-C4'-P energy: -85.706
tors. eta vs tors. theta energy: -127.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1623.564312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.564312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.564312 (E_RNA)
where:
Base-Base interactions energy: -1134.292
where: short stacking energy: -466.824
Base-Backbone interact. energy: -2.006
local terms energy: -487.265906
where:
bonds (distance) C4'-P energy: -91.872
bonds (distance) P-C4' energy: -97.459
flat angles C4'-P-C4' energy: -111.224
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -115.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1612.741508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.741508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.741508 (E_RNA)
where:
Base-Base interactions energy: -1146.355
where: short stacking energy: -465.626
Base-Backbone interact. energy: 2.364
local terms energy: -468.750404
where:
bonds (distance) C4'-P energy: -70.874
bonds (distance) P-C4' energy: -110.501
flat angles C4'-P-C4' energy: -106.663
flat angles P-C4'-P energy: -66.044
tors. eta vs tors. theta energy: -114.668
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: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1376.808217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.808217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.808217 (E_RNA)
where:
Base-Base interactions energy: -912.420
where: short stacking energy: -411.299
Base-Backbone interact. energy: -0.378
local terms energy: -464.010063
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -94.763
flat angles C4'-P-C4' energy: -106.947
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: -95.271
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1185.119786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.119786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.119786 (E_RNA)
where:
Base-Base interactions energy: -776.994
where: short stacking energy: -344.710
Base-Backbone interact. energy: -2.749
local terms energy: -405.377652
where:
bonds (distance) C4'-P energy: -89.641
bonds (distance) P-C4' energy: -92.836
flat angles C4'-P-C4' energy: -87.596
flat angles P-C4'-P energy: -61.596
tors. eta vs tors. theta energy: -73.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1076.205736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.205736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.205736 (E_RNA)
where:
Base-Base interactions energy: -701.413
where: short stacking energy: -309.843
Base-Backbone interact. energy: 2.247
local terms energy: -377.040354
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -95.311
flat angles C4'-P-C4' energy: -84.505
flat angles P-C4'-P energy: -62.085
tors. eta vs tors. theta energy: -55.619
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: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -818.010726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.010726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.010726 (E_RNA)
where:
Base-Base interactions energy: -477.028
where: short stacking energy: -220.000
Base-Backbone interact. energy: -1.742
local terms energy: -339.240412
where:
bonds (distance) C4'-P energy: -95.864
bonds (distance) P-C4' energy: -90.678
flat angles C4'-P-C4' energy: -74.272
flat angles P-C4'-P energy: -51.276
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1908.318755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.318755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.318755 (E_RNA)
where:
Base-Base interactions energy: -1326.705
where: short stacking energy: -553.376
Base-Backbone interact. energy: -0.171
local terms energy: -581.442898
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -101.293
flat angles C4'-P-C4' energy: -124.683
flat angles P-C4'-P energy: -90.172
tors. eta vs tors. theta energy: -156.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1837.453566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.453566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.453566 (E_RNA)
where:
Base-Base interactions energy: -1292.230
where: short stacking energy: -546.367
Base-Backbone interact. energy: -1.043
local terms energy: -544.180975
where:
bonds (distance) C4'-P energy: -94.161
bonds (distance) P-C4' energy: -99.723
flat angles C4'-P-C4' energy: -120.946
flat angles P-C4'-P energy: -87.355
tors. eta vs tors. theta energy: -141.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1748.781696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.781696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.781696 (E_RNA)
where:
Base-Base interactions energy: -1224.254
where: short stacking energy: -500.158
Base-Backbone interact. energy: 3.910
local terms energy: -528.438068
where:
bonds (distance) C4'-P energy: -92.846
bonds (distance) P-C4' energy: -100.000
flat angles C4'-P-C4' energy: -123.683
flat angles P-C4'-P energy: -70.661
tors. eta vs tors. theta energy: -141.248
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1704.145435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.145435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.145435 (E_RNA)
where:
Base-Base interactions energy: -1192.946
where: short stacking energy: -491.070
Base-Backbone interact. energy: 1.560
local terms energy: -512.759231
where:
bonds (distance) C4'-P energy: -97.694
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -121.240
flat angles P-C4'-P energy: -70.783
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1644.216392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.216392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.216392 (E_RNA)
where:
Base-Base interactions energy: -1150.164
where: short stacking energy: -478.184
Base-Backbone interact. energy: 0.655
local terms energy: -494.707067
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -93.832
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -124.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1595.479074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.479074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.479074 (E_RNA)
where:
Base-Base interactions energy: -1142.248
where: short stacking energy: -452.421
Base-Backbone interact. energy: 1.645
local terms energy: -454.876322
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -94.183
flat angles C4'-P-C4' energy: -104.867
flat angles P-C4'-P energy: -73.222
tors. eta vs tors. theta energy: -108.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1408.364722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.364722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.364722 (E_RNA)
where:
Base-Base interactions energy: -975.179
where: short stacking energy: -402.063
Base-Backbone interact. energy: -3.450
local terms energy: -429.735740
where:
bonds (distance) C4'-P energy: -101.580
bonds (distance) P-C4' energy: -91.897
flat angles C4'-P-C4' energy: -65.570
flat angles P-C4'-P energy: -72.647
tors. eta vs tors. theta energy: -98.041
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: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1205.895766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.895766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.895766 (E_RNA)
where:
Base-Base interactions energy: -811.320
where: short stacking energy: -346.964
Base-Backbone interact. energy: -3.840
local terms energy: -390.735478
where:
bonds (distance) C4'-P energy: -88.325
bonds (distance) P-C4' energy: -82.995
flat angles C4'-P-C4' energy: -97.589
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -81.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1080.780153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.780153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.780153 (E_RNA)
where:
Base-Base interactions energy: -716.052
where: short stacking energy: -317.471
Base-Backbone interact. energy: 5.586
local terms energy: -370.313846
where:
bonds (distance) C4'-P energy: -76.378
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -94.846
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -57.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -840.843447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.843447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.843447 (E_RNA)
where:
Base-Base interactions energy: -479.441
where: short stacking energy: -219.860
Base-Backbone interact. energy: -1.923
local terms energy: -359.479112
where:
bonds (distance) C4'-P energy: -78.496
bonds (distance) P-C4' energy: -90.916
flat angles C4'-P-C4' energy: -106.185
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -12.725
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1885.294214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.294214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.294214 (E_RNA)
where:
Base-Base interactions energy: -1315.636
where: short stacking energy: -545.315
Base-Backbone interact. energy: -3.703
local terms energy: -565.954862
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -107.730
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -88.594
tors. eta vs tors. theta energy: -146.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1853.141941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.141941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.141941 (E_RNA)
where:
Base-Base interactions energy: -1297.990
where: short stacking energy: -521.459
Base-Backbone interact. energy: 2.769
local terms energy: -557.920114
where:
bonds (distance) C4'-P energy: -113.068
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -115.936
flat angles P-C4'-P energy: -86.653
tors. eta vs tors. theta energy: -142.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1788.603396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.603396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.603396 (E_RNA)
where:
Base-Base interactions energy: -1264.579
where: short stacking energy: -540.810
Base-Backbone interact. energy: -2.724
local terms energy: -521.301052
where:
bonds (distance) C4'-P energy: -89.339
bonds (distance) P-C4' energy: -88.597
flat angles C4'-P-C4' energy: -123.281
flat angles P-C4'-P energy: -66.158
tors. eta vs tors. theta energy: -153.926
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: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1708.580436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.580436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.580436 (E_RNA)
where:
Base-Base interactions energy: -1186.731
where: short stacking energy: -500.906
Base-Backbone interact. energy: 2.624
local terms energy: -524.472781
where:
bonds (distance) C4'-P energy: -102.163
bonds (distance) P-C4' energy: -108.333
flat angles C4'-P-C4' energy: -112.804
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -127.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1668.572315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.572315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.572315 (E_RNA)
where:
Base-Base interactions energy: -1166.412
where: short stacking energy: -498.298
Base-Backbone interact. energy: 2.002
local terms energy: -504.162652
where:
bonds (distance) C4'-P energy: -99.267
bonds (distance) P-C4' energy: -91.376
flat angles C4'-P-C4' energy: -118.738
flat angles P-C4'-P energy: -65.318
tors. eta vs tors. theta energy: -129.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1577.482502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.482502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.482502 (E_RNA)
where:
Base-Base interactions energy: -1115.774
where: short stacking energy: -438.394
Base-Backbone interact. energy: 0.130
local terms energy: -461.837706
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -87.604
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -106.735
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: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1410.799638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.799638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.799638 (E_RNA)
where:
Base-Base interactions energy: -959.883
where: short stacking energy: -431.960
Base-Backbone interact. energy: -1.018
local terms energy: -449.898886
where:
bonds (distance) C4'-P energy: -85.912
bonds (distance) P-C4' energy: -91.093
flat angles C4'-P-C4' energy: -104.422
flat angles P-C4'-P energy: -65.200
tors. eta vs tors. theta energy: -103.271
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: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1264.000646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.000646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.000646 (E_RNA)
where:
Base-Base interactions energy: -868.929
where: short stacking energy: -390.977
Base-Backbone interact. energy: -2.075
local terms energy: -392.996310
where:
bonds (distance) C4'-P energy: -66.918
bonds (distance) P-C4' energy: -83.406
flat angles C4'-P-C4' energy: -106.637
flat angles P-C4'-P energy: -52.802
tors. eta vs tors. theta energy: -83.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1028.833824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.833824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.833824 (E_RNA)
where:
Base-Base interactions energy: -634.527
where: short stacking energy: -289.500
Base-Backbone interact. energy: -2.462
local terms energy: -391.845025
where:
bonds (distance) C4'-P energy: -89.190
bonds (distance) P-C4' energy: -91.048
flat angles C4'-P-C4' energy: -91.263
flat angles P-C4'-P energy: -69.285
tors. eta vs tors. theta energy: -51.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -822.347955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.347955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.347955 (E_RNA)
where:
Base-Base interactions energy: -503.985
where: short stacking energy: -231.891
Base-Backbone interact. energy: 0.975
local terms energy: -319.337405
where:
bonds (distance) C4'-P energy: -87.411
bonds (distance) P-C4' energy: -82.819
flat angles C4'-P-C4' energy: -80.674
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -30.825
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: 158
Temperature: 0.900000
Total energy: -1896.230381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.230381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.230381 (E_RNA)
where:
Base-Base interactions energy: -1324.733
where: short stacking energy: -568.297
Base-Backbone interact. energy: -1.799
local terms energy: -569.698186
where:
bonds (distance) C4'-P energy: -96.754
bonds (distance) P-C4' energy: -101.347
flat angles C4'-P-C4' energy: -132.826
flat angles P-C4'-P energy: -81.733
tors. eta vs tors. theta energy: -157.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1851.070333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.070333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.070333 (E_RNA)
where:
Base-Base interactions energy: -1298.203
where: short stacking energy: -544.263
Base-Backbone interact. energy: -3.073
local terms energy: -549.794055
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -92.946
flat angles C4'-P-C4' energy: -111.120
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -148.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1717.884513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.884513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.884513 (E_RNA)
where:
Base-Base interactions energy: -1176.923
where: short stacking energy: -485.984
Base-Backbone interact. energy: -1.987
local terms energy: -538.974784
where:
bonds (distance) C4'-P energy: -92.241
bonds (distance) P-C4' energy: -120.305
flat angles C4'-P-C4' energy: -105.664
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -137.456
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: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1710.297330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.297330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.297330 (E_RNA)
where:
Base-Base interactions energy: -1203.282
where: short stacking energy: -496.365
Base-Backbone interact. energy: -2.389
local terms energy: -504.625718
where:
bonds (distance) C4'-P energy: -103.343
bonds (distance) P-C4' energy: -93.235
flat angles C4'-P-C4' energy: -108.724
flat angles P-C4'-P energy: -70.501
tors. eta vs tors. theta energy: -128.824
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: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1598.833482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.833482 (E_RNA)
where:
Base-Base interactions energy: -1116.057
where: short stacking energy: -454.017
Base-Backbone interact. energy: -0.852
local terms energy: -481.924537
where:
bonds (distance) C4'-P energy: -89.911
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -110.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1615.938000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.938000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.938000 (E_RNA)
where:
Base-Base interactions energy: -1135.183
where: short stacking energy: -450.813
Base-Backbone interact. energy: -1.154
local terms energy: -479.601479
where:
bonds (distance) C4'-P energy: -88.835
bonds (distance) P-C4' energy: -105.498
flat angles C4'-P-C4' energy: -108.484
flat angles P-C4'-P energy: -63.393
tors. eta vs tors. theta energy: -113.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1388.259969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.259969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.259969 (E_RNA)
where:
Base-Base interactions energy: -935.486
where: short stacking energy: -413.465
Base-Backbone interact. energy: -2.501
local terms energy: -450.272389
where:
bonds (distance) C4'-P energy: -104.595
bonds (distance) P-C4' energy: -78.099
flat angles C4'-P-C4' energy: -100.055
flat angles P-C4'-P energy: -69.266
tors. eta vs tors. theta energy: -98.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1255.553322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.553322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.553322 (E_RNA)
where:
Base-Base interactions energy: -816.892
where: short stacking energy: -363.122
Base-Backbone interact. energy: 2.091
local terms energy: -440.752795
where:
bonds (distance) C4'-P energy: -103.709
bonds (distance) P-C4' energy: -96.248
flat angles C4'-P-C4' energy: -95.700
flat angles P-C4'-P energy: -58.265
tors. eta vs tors. theta energy: -86.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1042.372151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.372151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.372151 (E_RNA)
where:
Base-Base interactions energy: -652.321
where: short stacking energy: -310.298
Base-Backbone interact. energy: -1.011
local terms energy: -389.040441
where:
bonds (distance) C4'-P energy: -81.179
bonds (distance) P-C4' energy: -92.902
flat angles C4'-P-C4' energy: -91.488
flat angles P-C4'-P energy: -61.221
tors. eta vs tors. theta energy: -62.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -860.794289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.794289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.794289 (E_RNA)
where:
Base-Base interactions energy: -517.669
where: short stacking energy: -231.481
Base-Backbone interact. energy: -0.687
local terms energy: -342.439035
where:
bonds (distance) C4'-P energy: -92.963
bonds (distance) P-C4' energy: -93.024
flat angles C4'-P-C4' energy: -86.216
flat angles P-C4'-P energy: -49.996
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: 159
Temperature: 0.900000
Total energy: -1895.052114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.052114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.052114 (E_RNA)
where:
Base-Base interactions energy: -1310.570
where: short stacking energy: -566.822
Base-Backbone interact. energy: -3.606
local terms energy: -580.876117
where:
bonds (distance) C4'-P energy: -103.935
bonds (distance) P-C4' energy: -120.006
flat angles C4'-P-C4' energy: -123.510
flat angles P-C4'-P energy: -83.714
tors. eta vs tors. theta energy: -149.712
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: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1850.111264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.111264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.111264 (E_RNA)
where:
Base-Base interactions energy: -1319.225
where: short stacking energy: -553.856
Base-Backbone interact. energy: -3.270
local terms energy: -527.615957
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -89.376
flat angles C4'-P-C4' energy: -121.418
flat angles P-C4'-P energy: -79.611
tors. eta vs tors. theta energy: -143.783
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: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1785.828434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.828434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.828434 (E_RNA)
where:
Base-Base interactions energy: -1231.713
where: short stacking energy: -513.830
Base-Backbone interact. energy: -0.019
local terms energy: -554.096557
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -101.865
flat angles C4'-P-C4' energy: -115.261
flat angles P-C4'-P energy: -87.074
tors. eta vs tors. theta energy: -146.017
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1693.991559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.991559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.991559 (E_RNA)
where:
Base-Base interactions energy: -1194.762
where: short stacking energy: -485.815
Base-Backbone interact. energy: -1.851
local terms energy: -497.379031
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -98.652
flat angles C4'-P-C4' energy: -116.511
flat angles P-C4'-P energy: -77.909
tors. eta vs tors. theta energy: -120.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1664.935326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.935326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.935326 (E_RNA)
where:
Base-Base interactions energy: -1173.519
where: short stacking energy: -486.718
Base-Backbone interact. energy: -2.406
local terms energy: -489.009467
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -106.994
flat angles C4'-P-C4' energy: -109.786
flat angles P-C4'-P energy: -61.308
tors. eta vs tors. theta energy: -122.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1622.056245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.056245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.056245 (E_RNA)
where:
Base-Base interactions energy: -1131.077
where: short stacking energy: -468.623
Base-Backbone interact. energy: 0.296
local terms energy: -491.274990
where:
bonds (distance) C4'-P energy: -85.865
bonds (distance) P-C4' energy: -94.573
flat angles C4'-P-C4' energy: -117.533
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -114.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1332.028544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.028544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.028544 (E_RNA)
where:
Base-Base interactions energy: -909.399
where: short stacking energy: -398.306
Base-Backbone interact. energy: -1.056
local terms energy: -421.573606
where:
bonds (distance) C4'-P energy: -93.819
bonds (distance) P-C4' energy: -92.775
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -88.216
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: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1209.815937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.815937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.815937 (E_RNA)
where:
Base-Base interactions energy: -809.400
where: short stacking energy: -347.157
Base-Backbone interact. energy: -1.459
local terms energy: -398.957087
where:
bonds (distance) C4'-P energy: -88.890
bonds (distance) P-C4' energy: -74.010
flat angles C4'-P-C4' energy: -101.383
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -67.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1078.204144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.204144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.204144 (E_RNA)
where:
Base-Base interactions energy: -690.084
where: short stacking energy: -302.789
Base-Backbone interact. energy: -0.785
local terms energy: -387.335579
where:
bonds (distance) C4'-P energy: -101.632
bonds (distance) P-C4' energy: -82.867
flat angles C4'-P-C4' energy: -83.498
flat angles P-C4'-P energy: -60.525
tors. eta vs tors. theta energy: -58.814
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -870.075855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.075855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.075855 (E_RNA)
where:
Base-Base interactions energy: -526.511
where: short stacking energy: -240.441
Base-Backbone interact. energy: 0.338
local terms energy: -343.902901
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -78.390
flat angles C4'-P-C4' energy: -76.698
flat angles P-C4'-P energy: -62.822
tors. eta vs tors. theta energy: -43.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1921.947595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.947595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.947595 (E_RNA)
where:
Base-Base interactions energy: -1335.736
where: short stacking energy: -567.223
Base-Backbone interact. energy: -3.942
local terms energy: -582.270004
where:
bonds (distance) C4'-P energy: -108.891
bonds (distance) P-C4' energy: -109.222
flat angles C4'-P-C4' energy: -121.309
flat angles P-C4'-P energy: -84.159
tors. eta vs tors. theta energy: -158.688
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1840.950785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.950785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.950785 (E_RNA)
where:
Base-Base interactions energy: -1267.209
where: short stacking energy: -510.780
Base-Backbone interact. energy: -0.876
local terms energy: -572.865990
where:
bonds (distance) C4'-P energy: -107.904
bonds (distance) P-C4' energy: -119.169
flat angles C4'-P-C4' energy: -119.755
flat angles P-C4'-P energy: -88.079
tors. eta vs tors. theta energy: -137.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1770.408158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.408158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.408158 (E_RNA)
where:
Base-Base interactions energy: -1255.253
where: short stacking energy: -492.452
Base-Backbone interact. energy: -0.726
local terms energy: -514.429172
where:
bonds (distance) C4'-P energy: -101.241
bonds (distance) P-C4' energy: -84.423
flat angles C4'-P-C4' energy: -119.440
flat angles P-C4'-P energy: -69.926
tors. eta vs tors. theta energy: -139.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1700.618345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.618345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.618345 (E_RNA)
where:
Base-Base interactions energy: -1196.309
where: short stacking energy: -474.842
Base-Backbone interact. energy: -3.450
local terms energy: -500.859291
where:
bonds (distance) C4'-P energy: -98.928
bonds (distance) P-C4' energy: -98.824
flat angles C4'-P-C4' energy: -111.579
flat angles P-C4'-P energy: -72.072
tors. eta vs tors. theta energy: -119.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1645.122354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.122354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.122354 (E_RNA)
where:
Base-Base interactions energy: -1155.162
where: short stacking energy: -483.543
Base-Backbone interact. energy: 3.554
local terms energy: -493.514359
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -88.380
flat angles C4'-P-C4' energy: -105.607
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -118.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1634.664544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.664544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.664544 (E_RNA)
where:
Base-Base interactions energy: -1138.388
where: short stacking energy: -460.990
Base-Backbone interact. energy: -2.546
local terms energy: -493.730080
where:
bonds (distance) C4'-P energy: -76.812
bonds (distance) P-C4' energy: -99.099
flat angles C4'-P-C4' energy: -98.785
flat angles P-C4'-P energy: -81.917
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: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1347.474109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.474109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.474109 (E_RNA)
where:
Base-Base interactions energy: -898.463
where: short stacking energy: -380.076
Base-Backbone interact. energy: 4.939
local terms energy: -453.950064
where:
bonds (distance) C4'-P energy: -95.001
bonds (distance) P-C4' energy: -94.007
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -79.306
tors. eta vs tors. theta energy: -80.634
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: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1184.982079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.982079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.982079 (E_RNA)
where:
Base-Base interactions energy: -800.014
where: short stacking energy: -338.999
Base-Backbone interact. energy: 2.095
local terms energy: -387.062772
where:
bonds (distance) C4'-P energy: -84.505
bonds (distance) P-C4' energy: -84.268
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -64.597
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1063.919444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.919444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.919444 (E_RNA)
where:
Base-Base interactions energy: -702.201
where: short stacking energy: -344.770
Base-Backbone interact. energy: 2.438
local terms energy: -364.155599
where:
bonds (distance) C4'-P energy: -74.732
bonds (distance) P-C4' energy: -84.191
flat angles C4'-P-C4' energy: -85.780
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -824.711305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.711305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.711305 (E_RNA)
where:
Base-Base interactions energy: -490.870
where: short stacking energy: -241.313
Base-Backbone interact. energy: 1.154
local terms energy: -334.995443
where:
bonds (distance) C4'-P energy: -88.584
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -82.595
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -37.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1920.609537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.609537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.609537 (E_RNA)
where:
Base-Base interactions energy: -1335.242
where: short stacking energy: -567.390
Base-Backbone interact. energy: -3.066
local terms energy: -582.301640
where:
bonds (distance) C4'-P energy: -92.932
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -86.603
tors. eta vs tors. theta energy: -157.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1838.594171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.594171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.594171 (E_RNA)
where:
Base-Base interactions energy: -1301.053
where: short stacking energy: -536.950
Base-Backbone interact. energy: -1.284
local terms energy: -536.256852
where:
bonds (distance) C4'-P energy: -104.199
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -121.741
flat angles P-C4'-P energy: -66.913
tors. eta vs tors. theta energy: -142.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1790.764891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.764891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.764891 (E_RNA)
where:
Base-Base interactions energy: -1238.922
where: short stacking energy: -527.992
Base-Backbone interact. energy: -0.386
local terms energy: -551.456364
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -109.587
flat angles C4'-P-C4' energy: -119.076
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -142.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1684.333822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.333822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.333822 (E_RNA)
where:
Base-Base interactions energy: -1203.628
where: short stacking energy: -490.314
Base-Backbone interact. energy: -1.460
local terms energy: -479.246132
where:
bonds (distance) C4'-P energy: -89.742
bonds (distance) P-C4' energy: -101.206
flat angles C4'-P-C4' energy: -107.574
flat angles P-C4'-P energy: -70.325
tors. eta vs tors. theta energy: -110.399
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1602.566490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.566490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.566490 (E_RNA)
where:
Base-Base interactions energy: -1128.236
where: short stacking energy: -478.632
Base-Backbone interact. energy: 0.591
local terms energy: -474.921851
where:
bonds (distance) C4'-P energy: -101.851
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -98.328
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -112.660
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1567.804017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.804017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.804017 (E_RNA)
where:
Base-Base interactions energy: -1112.458
where: short stacking energy: -418.871
Base-Backbone interact. energy: -1.045
local terms energy: -454.301151
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -90.255
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -65.754
tors. eta vs tors. theta energy: -107.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1311.293944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.293944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.293944 (E_RNA)
where:
Base-Base interactions energy: -868.004
where: short stacking energy: -359.912
Base-Backbone interact. energy: 2.725
local terms energy: -446.015689
where:
bonds (distance) C4'-P energy: -88.917
bonds (distance) P-C4' energy: -93.708
flat angles C4'-P-C4' energy: -95.915
flat angles P-C4'-P energy: -81.805
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1172.006925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.006925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.006925 (E_RNA)
where:
Base-Base interactions energy: -761.379
where: short stacking energy: -333.889
Base-Backbone interact. energy: -2.101
local terms energy: -408.527582
where:
bonds (distance) C4'-P energy: -97.133
bonds (distance) P-C4' energy: -93.986
flat angles C4'-P-C4' energy: -97.895
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -65.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1057.837613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.837613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.837613 (E_RNA)
where:
Base-Base interactions energy: -678.465
where: short stacking energy: -311.281
Base-Backbone interact. energy: 2.869
local terms energy: -382.241576
where:
bonds (distance) C4'-P energy: -86.566
bonds (distance) P-C4' energy: -83.980
flat angles C4'-P-C4' energy: -86.072
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -57.014
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -821.453474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.453474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.453474 (E_RNA)
where:
Base-Base interactions energy: -502.767
where: short stacking energy: -245.770
Base-Backbone interact. energy: 3.398
local terms energy: -322.084397
where:
bonds (distance) C4'-P energy: -74.188
bonds (distance) P-C4' energy: -82.967
flat angles C4'-P-C4' energy: -89.944
flat angles P-C4'-P energy: -51.234
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: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1912.337679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.337679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.337679 (E_RNA)
where:
Base-Base interactions energy: -1376.844
where: short stacking energy: -565.909
Base-Backbone interact. energy: -4.356
local terms energy: -531.137969
where:
bonds (distance) C4'-P energy: -78.896
bonds (distance) P-C4' energy: -105.280
flat angles C4'-P-C4' energy: -121.332
flat angles P-C4'-P energy: -76.168
tors. eta vs tors. theta energy: -149.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1862.039374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.039374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.039374 (E_RNA)
where:
Base-Base interactions energy: -1297.549
where: short stacking energy: -557.350
Base-Backbone interact. energy: 3.831
local terms energy: -568.320762
where:
bonds (distance) C4'-P energy: -105.796
bonds (distance) P-C4' energy: -102.184
flat angles C4'-P-C4' energy: -125.333
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -152.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1819.442066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.442066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.442066 (E_RNA)
where:
Base-Base interactions energy: -1274.729
where: short stacking energy: -524.125
Base-Backbone interact. energy: -4.319
local terms energy: -540.393599
where:
bonds (distance) C4'-P energy: -111.441
bonds (distance) P-C4' energy: -101.446
flat angles C4'-P-C4' energy: -114.208
flat angles P-C4'-P energy: -78.534
tors. eta vs tors. theta energy: -134.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1729.150386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.150386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.150386 (E_RNA)
where:
Base-Base interactions energy: -1201.968
where: short stacking energy: -483.587
Base-Backbone interact. energy: -3.344
local terms energy: -523.838970
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -97.304
flat angles C4'-P-C4' energy: -116.528
flat angles P-C4'-P energy: -76.052
tors. eta vs tors. theta energy: -133.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1667.708110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.708110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.708110 (E_RNA)
where:
Base-Base interactions energy: -1171.427
where: short stacking energy: -468.481
Base-Backbone interact. energy: -5.554
local terms energy: -490.727409
where:
bonds (distance) C4'-P energy: -93.728
bonds (distance) P-C4' energy: -97.911
flat angles C4'-P-C4' energy: -107.651
flat angles P-C4'-P energy: -68.505
tors. eta vs tors. theta energy: -122.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1597.407672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.407672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.407672 (E_RNA)
where:
Base-Base interactions energy: -1158.209
where: short stacking energy: -477.897
Base-Backbone interact. energy: 1.969
local terms energy: -441.167484
where:
bonds (distance) C4'-P energy: -76.097
bonds (distance) P-C4' energy: -88.480
flat angles C4'-P-C4' energy: -96.175
flat angles P-C4'-P energy: -68.606
tors. eta vs tors. theta energy: -111.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1323.831783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.831783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.831783 (E_RNA)
where:
Base-Base interactions energy: -878.279
where: short stacking energy: -375.620
Base-Backbone interact. energy: -1.560
local terms energy: -443.992839
where:
bonds (distance) C4'-P energy: -86.789
bonds (distance) P-C4' energy: -97.149
flat angles C4'-P-C4' energy: -96.583
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -86.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1254.040254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.040254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.040254 (E_RNA)
where:
Base-Base interactions energy: -813.526
where: short stacking energy: -365.609
Base-Backbone interact. energy: -1.824
local terms energy: -438.690612
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -102.418
flat angles C4'-P-C4' energy: -91.055
flat angles P-C4'-P energy: -74.350
tors. eta vs tors. theta energy: -83.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1016.923626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.923626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.923626 (E_RNA)
where:
Base-Base interactions energy: -653.201
where: short stacking energy: -283.030
Base-Backbone interact. energy: 9.460
local terms energy: -373.182647
where:
bonds (distance) C4'-P energy: -79.496
bonds (distance) P-C4' energy: -80.849
flat angles C4'-P-C4' energy: -98.262
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -57.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -868.145227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.145227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.145227 (E_RNA)
where:
Base-Base interactions energy: -537.270
where: short stacking energy: -242.005
Base-Backbone interact. energy: -4.963
local terms energy: -325.912370
where:
bonds (distance) C4'-P energy: -73.298
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -73.230
flat angles P-C4'-P energy: -59.155
tors. eta vs tors. theta energy: -27.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1908.118397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.118397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.118397 (E_RNA)
where:
Base-Base interactions energy: -1345.776
where: short stacking energy: -574.084
Base-Backbone interact. energy: -2.061
local terms energy: -560.281643
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -103.235
flat angles C4'-P-C4' energy: -124.386
flat angles P-C4'-P energy: -78.825
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: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1847.812709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.812709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.812709 (E_RNA)
where:
Base-Base interactions energy: -1312.356
where: short stacking energy: -530.566
Base-Backbone interact. energy: -4.665
local terms energy: -530.790980
where:
bonds (distance) C4'-P energy: -107.165
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -137.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1757.575885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.575885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.575885 (E_RNA)
where:
Base-Base interactions energy: -1255.477
where: short stacking energy: -502.581
Base-Backbone interact. energy: -2.204
local terms energy: -499.895283
where:
bonds (distance) C4'-P energy: -89.284
bonds (distance) P-C4' energy: -89.733
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -76.109
tors. eta vs tors. theta energy: -129.684
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1751.391030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.391030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.391030 (E_RNA)
where:
Base-Base interactions energy: -1225.124
where: short stacking energy: -519.270
Base-Backbone interact. energy: -0.644
local terms energy: -525.622214
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -104.794
flat angles C4'-P-C4' energy: -117.894
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -146.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1672.852363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.852363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.852363 (E_RNA)
where:
Base-Base interactions energy: -1171.120
where: short stacking energy: -466.307
Base-Backbone interact. energy: -0.563
local terms energy: -501.169576
where:
bonds (distance) C4'-P energy: -100.387
bonds (distance) P-C4' energy: -105.240
flat angles C4'-P-C4' energy: -98.235
flat angles P-C4'-P energy: -83.428
tors. eta vs tors. theta energy: -113.880
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1602.472526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.472526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.472526 (E_RNA)
where:
Base-Base interactions energy: -1144.912
where: short stacking energy: -490.163
Base-Backbone interact. energy: 1.685
local terms energy: -459.245244
where:
bonds (distance) C4'-P energy: -92.355
bonds (distance) P-C4' energy: -79.234
flat angles C4'-P-C4' energy: -105.184
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -126.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1375.599263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.599263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.599263 (E_RNA)
where:
Base-Base interactions energy: -925.691
where: short stacking energy: -391.381
Base-Backbone interact. energy: 0.746
local terms energy: -450.653578
where:
bonds (distance) C4'-P energy: -103.006
bonds (distance) P-C4' energy: -104.605
flat angles C4'-P-C4' energy: -90.509
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -94.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1232.512432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.512432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.512432 (E_RNA)
where:
Base-Base interactions energy: -807.236
where: short stacking energy: -376.561
Base-Backbone interact. energy: 1.959
local terms energy: -427.236206
where:
bonds (distance) C4'-P energy: -90.513
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -106.445
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -87.640
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: 163
Temperature: 1.300000
Total energy: -992.527437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.527437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.527437 (E_RNA)
where:
Base-Base interactions energy: -632.076
where: short stacking energy: -290.092
Base-Backbone interact. energy: 0.749
local terms energy: -361.200913
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -94.415
flat angles C4'-P-C4' energy: -85.048
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -40.703
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -865.396143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.396143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.396143 (E_RNA)
where:
Base-Base interactions energy: -537.912
where: short stacking energy: -238.918
Base-Backbone interact. energy: -0.322
local terms energy: -327.162056
where:
bonds (distance) C4'-P energy: -82.232
bonds (distance) P-C4' energy: -87.957
flat angles C4'-P-C4' energy: -68.630
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -37.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1894.025636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.025636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.025636 (E_RNA)
where:
Base-Base interactions energy: -1332.479
where: short stacking energy: -565.564
Base-Backbone interact. energy: -0.666
local terms energy: -560.880543
where:
bonds (distance) C4'-P energy: -110.790
bonds (distance) P-C4' energy: -105.709
flat angles C4'-P-C4' energy: -119.532
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -143.925
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: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1866.612973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.612973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.612973 (E_RNA)
where:
Base-Base interactions energy: -1303.424
where: short stacking energy: -556.499
Base-Backbone interact. energy: -1.649
local terms energy: -561.539719
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -102.124
flat angles C4'-P-C4' energy: -117.257
flat angles P-C4'-P energy: -81.793
tors. eta vs tors. theta energy: -150.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1751.715958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.715958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.715958 (E_RNA)
where:
Base-Base interactions energy: -1212.516
where: short stacking energy: -514.657
Base-Backbone interact. energy: -1.181
local terms energy: -538.019003
where:
bonds (distance) C4'-P energy: -92.247
bonds (distance) P-C4' energy: -114.666
flat angles C4'-P-C4' energy: -120.581
flat angles P-C4'-P energy: -66.825
tors. eta vs tors. theta energy: -143.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1692.286957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.286957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.286957 (E_RNA)
where:
Base-Base interactions energy: -1175.381
where: short stacking energy: -479.954
Base-Backbone interact. energy: 5.071
local terms energy: -521.977390
where:
bonds (distance) C4'-P energy: -108.754
bonds (distance) P-C4' energy: -101.205
flat angles C4'-P-C4' energy: -111.599
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -121.102
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: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1647.891772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.891772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.891772 (E_RNA)
where:
Base-Base interactions energy: -1153.507
where: short stacking energy: -482.615
Base-Backbone interact. energy: 4.965
local terms energy: -499.349169
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -102.355
flat angles C4'-P-C4' energy: -107.516
flat angles P-C4'-P energy: -59.717
tors. eta vs tors. theta energy: -133.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1584.591645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.591645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.591645 (E_RNA)
where:
Base-Base interactions energy: -1104.145
where: short stacking energy: -445.721
Base-Backbone interact. energy: -1.052
local terms energy: -479.394581
where:
bonds (distance) C4'-P energy: -84.494
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -106.664
flat angles P-C4'-P energy: -67.835
tors. eta vs tors. theta energy: -120.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1315.410891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.410891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.410891 (E_RNA)
where:
Base-Base interactions energy: -877.910
where: short stacking energy: -380.181
Base-Backbone interact. energy: 0.061
local terms energy: -437.562122
where:
bonds (distance) C4'-P energy: -97.058
bonds (distance) P-C4' energy: -101.294
flat angles C4'-P-C4' energy: -106.693
flat angles P-C4'-P energy: -62.028
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1206.332007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.332007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.332007 (E_RNA)
where:
Base-Base interactions energy: -805.910
where: short stacking energy: -350.053
Base-Backbone interact. energy: -1.646
local terms energy: -398.775787
where:
bonds (distance) C4'-P energy: -95.724
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -96.017
flat angles P-C4'-P energy: -51.943
tors. eta vs tors. theta energy: -65.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1034.934748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.934748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.934748 (E_RNA)
where:
Base-Base interactions energy: -667.727
where: short stacking energy: -303.206
Base-Backbone interact. energy: 0.708
local terms energy: -367.915103
where:
bonds (distance) C4'-P energy: -91.318
bonds (distance) P-C4' energy: -77.753
flat angles C4'-P-C4' energy: -99.483
flat angles P-C4'-P energy: -48.508
tors. eta vs tors. theta energy: -50.854
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: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -822.623734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.623734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.623734 (E_RNA)
where:
Base-Base interactions energy: -468.743
where: short stacking energy: -233.328
Base-Backbone interact. energy: 0.235
local terms energy: -354.115213
where:
bonds (distance) C4'-P energy: -93.396
bonds (distance) P-C4' energy: -104.285
flat angles C4'-P-C4' energy: -79.233
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1905.192748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.192748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.192748 (E_RNA)
where:
Base-Base interactions energy: -1343.704
where: short stacking energy: -561.147
Base-Backbone interact. energy: -3.130
local terms energy: -558.358463
where:
bonds (distance) C4'-P energy: -89.429
bonds (distance) P-C4' energy: -106.645
flat angles C4'-P-C4' energy: -122.631
flat angles P-C4'-P energy: -79.581
tors. eta vs tors. theta energy: -160.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1818.176867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.176867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.176867 (E_RNA)
where:
Base-Base interactions energy: -1285.208
where: short stacking energy: -538.740
Base-Backbone interact. energy: -1.673
local terms energy: -531.295642
where:
bonds (distance) C4'-P energy: -94.497
bonds (distance) P-C4' energy: -97.443
flat angles C4'-P-C4' energy: -116.586
flat angles P-C4'-P energy: -72.577
tors. eta vs tors. theta energy: -150.192
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1807.196577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.196577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.196577 (E_RNA)
where:
Base-Base interactions energy: -1271.747
where: short stacking energy: -523.429
Base-Backbone interact. energy: -4.843
local terms energy: -530.606430
where:
bonds (distance) C4'-P energy: -93.316
bonds (distance) P-C4' energy: -106.801
flat angles C4'-P-C4' energy: -110.336
flat angles P-C4'-P energy: -82.715
tors. eta vs tors. theta energy: -137.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1675.068183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.068183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.068183 (E_RNA)
where:
Base-Base interactions energy: -1176.507
where: short stacking energy: -486.702
Base-Backbone interact. energy: -1.640
local terms energy: -496.921808
where:
bonds (distance) C4'-P energy: -90.032
bonds (distance) P-C4' energy: -86.400
flat angles C4'-P-C4' energy: -118.476
flat angles P-C4'-P energy: -71.785
tors. eta vs tors. theta energy: -130.229
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1679.453212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.453212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.453212 (E_RNA)
where:
Base-Base interactions energy: -1188.975
where: short stacking energy: -499.253
Base-Backbone interact. energy: -0.535
local terms energy: -489.943634
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -105.524
flat angles C4'-P-C4' energy: -105.741
flat angles P-C4'-P energy: -80.157
tors. eta vs tors. theta energy: -123.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1553.885840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.885840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.885840 (E_RNA)
where:
Base-Base interactions energy: -1106.936
where: short stacking energy: -445.001
Base-Backbone interact. energy: -2.545
local terms energy: -444.404297
where:
bonds (distance) C4'-P energy: -92.251
bonds (distance) P-C4' energy: -93.782
flat angles C4'-P-C4' energy: -103.432
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -103.305
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: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1348.500172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.500172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.500172 (E_RNA)
where:
Base-Base interactions energy: -912.837
where: short stacking energy: -375.897
Base-Backbone interact. energy: -2.732
local terms energy: -432.930595
where:
bonds (distance) C4'-P energy: -90.009
bonds (distance) P-C4' energy: -99.754
flat angles C4'-P-C4' energy: -95.054
flat angles P-C4'-P energy: -64.613
tors. eta vs tors. theta energy: -83.501
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: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1262.126994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.126994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.126994 (E_RNA)
where:
Base-Base interactions energy: -851.130
where: short stacking energy: -355.344
Base-Backbone interact. energy: 1.576
local terms energy: -412.573687
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -70.543
flat angles C4'-P-C4' energy: -101.135
flat angles P-C4'-P energy: -66.083
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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1011.659098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.659098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.659098 (E_RNA)
where:
Base-Base interactions energy: -647.898
where: short stacking energy: -306.540
Base-Backbone interact. energy: 2.807
local terms energy: -366.568020
where:
bonds (distance) C4'-P energy: -88.299
bonds (distance) P-C4' energy: -80.382
flat angles C4'-P-C4' energy: -83.312
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: -60.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -784.420472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.420472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.420472 (E_RNA)
where:
Base-Base interactions energy: -464.235
where: short stacking energy: -209.570
Base-Backbone interact. energy: 0.726
local terms energy: -320.911807
where:
bonds (distance) C4'-P energy: -86.762
bonds (distance) P-C4' energy: -90.050
flat angles C4'-P-C4' energy: -73.198
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -20.541
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: 166
Temperature: 0.900000
Total energy: -1923.584313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.584313 (E_RNA)
where:
Base-Base interactions energy: -1329.857
where: short stacking energy: -569.382
Base-Backbone interact. energy: -0.873
local terms energy: -592.854560
where:
bonds (distance) C4'-P energy: -105.217
bonds (distance) P-C4' energy: -106.381
flat angles C4'-P-C4' energy: -133.288
flat angles P-C4'-P energy: -91.086
tors. eta vs tors. theta energy: -156.882
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: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1818.020747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.020747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.020747 (E_RNA)
where:
Base-Base interactions energy: -1267.457
where: short stacking energy: -523.120
Base-Backbone interact. energy: -2.633
local terms energy: -547.930459
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -112.533
flat angles C4'-P-C4' energy: -121.489
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -132.017
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: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1771.607901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.607901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.607901 (E_RNA)
where:
Base-Base interactions energy: -1225.406
where: short stacking energy: -515.681
Base-Backbone interact. energy: -5.797
local terms energy: -540.404473
where:
bonds (distance) C4'-P energy: -100.195
bonds (distance) P-C4' energy: -104.642
flat angles C4'-P-C4' energy: -116.449
flat angles P-C4'-P energy: -78.726
tors. eta vs tors. theta energy: -140.392
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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1724.471058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.471058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.471058 (E_RNA)
where:
Base-Base interactions energy: -1192.456
where: short stacking energy: -500.091
Base-Backbone interact. energy: -3.227
local terms energy: -528.787250
where:
bonds (distance) C4'-P energy: -112.350
bonds (distance) P-C4' energy: -100.698
flat angles C4'-P-C4' energy: -111.678
flat angles P-C4'-P energy: -78.513
tors. eta vs tors. theta energy: -125.549
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: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1673.490538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.490538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.490538 (E_RNA)
where:
Base-Base interactions energy: -1167.283
where: short stacking energy: -481.436
Base-Backbone interact. energy: -2.310
local terms energy: -503.897638
where:
bonds (distance) C4'-P energy: -85.382
bonds (distance) P-C4' energy: -110.753
flat angles C4'-P-C4' energy: -116.167
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -119.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1553.276531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.276531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.276531 (E_RNA)
where:
Base-Base interactions energy: -1076.943
where: short stacking energy: -430.334
Base-Backbone interact. energy: -0.431
local terms energy: -475.902426
where:
bonds (distance) C4'-P energy: -105.490
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -104.483
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -95.548
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: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1325.635004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.635004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.635004 (E_RNA)
where:
Base-Base interactions energy: -903.919
where: short stacking energy: -379.915
Base-Backbone interact. energy: -1.679
local terms energy: -420.037354
where:
bonds (distance) C4'-P energy: -104.224
bonds (distance) P-C4' energy: -86.940
flat angles C4'-P-C4' energy: -106.369
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -63.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1229.956470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.956470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.956470 (E_RNA)
where:
Base-Base interactions energy: -841.448
where: short stacking energy: -369.251
Base-Backbone interact. energy: -2.327
local terms energy: -386.181572
where:
bonds (distance) C4'-P energy: -87.340
bonds (distance) P-C4' energy: -73.286
flat angles C4'-P-C4' energy: -87.499
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -78.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1011.722158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.722158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.722158 (E_RNA)
where:
Base-Base interactions energy: -641.645
where: short stacking energy: -306.524
Base-Backbone interact. energy: -0.427
local terms energy: -369.650304
where:
bonds (distance) C4'-P energy: -71.774
bonds (distance) P-C4' energy: -98.970
flat angles C4'-P-C4' energy: -94.384
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -57.899
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: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -837.077204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.077204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.077204 (E_RNA)
where:
Base-Base interactions energy: -496.099
where: short stacking energy: -219.360
Base-Backbone interact. energy: -2.682
local terms energy: -338.296756
where:
bonds (distance) C4'-P energy: -79.712
bonds (distance) P-C4' energy: -84.999
flat angles C4'-P-C4' energy: -83.057
flat angles P-C4'-P energy: -61.893
tors. eta vs tors. theta energy: -28.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1901.846493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.846493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.846493 (E_RNA)
where:
Base-Base interactions energy: -1313.788
where: short stacking energy: -546.015
Base-Backbone interact. energy: -2.209
local terms energy: -585.849197
where:
bonds (distance) C4'-P energy: -110.695
bonds (distance) P-C4' energy: -111.118
flat angles C4'-P-C4' energy: -120.457
flat angles P-C4'-P energy: -94.546
tors. eta vs tors. theta energy: -149.034
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: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1840.017428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.017428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.017428 (E_RNA)
where:
Base-Base interactions energy: -1285.976
where: short stacking energy: -528.229
Base-Backbone interact. energy: -1.898
local terms energy: -552.142988
where:
bonds (distance) C4'-P energy: -107.552
bonds (distance) P-C4' energy: -105.469
flat angles C4'-P-C4' energy: -124.019
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -144.561
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: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1786.004590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.004590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.004590 (E_RNA)
where:
Base-Base interactions energy: -1237.505
where: short stacking energy: -536.811
Base-Backbone interact. energy: -2.640
local terms energy: -545.859275
where:
bonds (distance) C4'-P energy: -98.735
bonds (distance) P-C4' energy: -99.849
flat angles C4'-P-C4' energy: -119.852
flat angles P-C4'-P energy: -80.178
tors. eta vs tors. theta energy: -147.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1714.763231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.763231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.763231 (E_RNA)
where:
Base-Base interactions energy: -1189.073
where: short stacking energy: -491.552
Base-Backbone interact. energy: -1.322
local terms energy: -524.367657
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -125.717
flat angles P-C4'-P energy: -76.224
tors. eta vs tors. theta energy: -126.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1677.644919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.644919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.644919 (E_RNA)
where:
Base-Base interactions energy: -1174.848
where: short stacking energy: -473.631
Base-Backbone interact. energy: 0.959
local terms energy: -503.756745
where:
bonds (distance) C4'-P energy: -95.574
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -121.344
flat angles P-C4'-P energy: -72.296
tors. eta vs tors. theta energy: -123.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1559.520014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.520014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.520014 (E_RNA)
where:
Base-Base interactions energy: -1114.298
where: short stacking energy: -440.209
Base-Backbone interact. energy: -0.397
local terms energy: -444.825160
where:
bonds (distance) C4'-P energy: -81.126
bonds (distance) P-C4' energy: -96.085
flat angles C4'-P-C4' energy: -106.487
flat angles P-C4'-P energy: -63.494
tors. eta vs tors. theta energy: -97.633
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: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1302.472219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.472219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.472219 (E_RNA)
where:
Base-Base interactions energy: -882.147
where: short stacking energy: -382.028
Base-Backbone interact. energy: -1.292
local terms energy: -419.032528
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -89.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1198.202112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.202112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.202112 (E_RNA)
where:
Base-Base interactions energy: -813.878
where: short stacking energy: -374.908
Base-Backbone interact. energy: -0.956
local terms energy: -383.367477
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -85.978
flat angles C4'-P-C4' energy: -100.786
flat angles P-C4'-P energy: -61.624
tors. eta vs tors. theta energy: -63.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1012.867986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.867986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.867986 (E_RNA)
where:
Base-Base interactions energy: -638.991
where: short stacking energy: -287.552
Base-Backbone interact. energy: -0.924
local terms energy: -372.953203
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -94.300
flat angles C4'-P-C4' energy: -87.795
flat angles P-C4'-P energy: -43.992
tors. eta vs tors. theta energy: -52.473
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: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -834.612670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.612670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.612670 (E_RNA)
where:
Base-Base interactions energy: -510.691
where: short stacking energy: -233.276
Base-Backbone interact. energy: 0.279
local terms energy: -324.200106
where:
bonds (distance) C4'-P energy: -96.487
bonds (distance) P-C4' energy: -83.562
flat angles C4'-P-C4' energy: -64.954
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1915.947441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.947441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.947441 (E_RNA)
where:
Base-Base interactions energy: -1343.339
where: short stacking energy: -573.215
Base-Backbone interact. energy: -2.259
local terms energy: -570.349415
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -110.080
flat angles C4'-P-C4' energy: -129.028
flat angles P-C4'-P energy: -71.306
tors. eta vs tors. theta energy: -157.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1818.584651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.584651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.584651 (E_RNA)
where:
Base-Base interactions energy: -1279.580
where: short stacking energy: -534.766
Base-Backbone interact. energy: -0.627
local terms energy: -538.377409
where:
bonds (distance) C4'-P energy: -106.127
bonds (distance) P-C4' energy: -104.421
flat angles C4'-P-C4' energy: -117.388
flat angles P-C4'-P energy: -74.997
tors. eta vs tors. theta energy: -135.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1776.609321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.609321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.609321 (E_RNA)
where:
Base-Base interactions energy: -1236.211
where: short stacking energy: -512.532
Base-Backbone interact. energy: -2.952
local terms energy: -537.446331
where:
bonds (distance) C4'-P energy: -104.706
bonds (distance) P-C4' energy: -108.693
flat angles C4'-P-C4' energy: -118.292
flat angles P-C4'-P energy: -70.493
tors. eta vs tors. theta energy: -135.262
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: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1699.057914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.057914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.057914 (E_RNA)
where:
Base-Base interactions energy: -1193.610
where: short stacking energy: -485.705
Base-Backbone interact. energy: -1.156
local terms energy: -504.291982
where:
bonds (distance) C4'-P energy: -92.816
bonds (distance) P-C4' energy: -103.618
flat angles C4'-P-C4' energy: -109.828
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -127.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1675.971366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.971366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.971366 (E_RNA)
where:
Base-Base interactions energy: -1174.822
where: short stacking energy: -491.080
Base-Backbone interact. energy: -3.370
local terms energy: -497.779025
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -97.869
flat angles C4'-P-C4' energy: -116.965
flat angles P-C4'-P energy: -76.499
tors. eta vs tors. theta energy: -106.161
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: 168
Temperature: 1.150000
Total energy: -1505.214267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.214267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.214267 (E_RNA)
where:
Base-Base interactions energy: -1045.474
where: short stacking energy: -454.361
Base-Backbone interact. energy: 2.453
local terms energy: -462.193300
where:
bonds (distance) C4'-P energy: -86.698
bonds (distance) P-C4' energy: -84.274
flat angles C4'-P-C4' energy: -112.246
flat angles P-C4'-P energy: -76.449
tors. eta vs tors. theta energy: -102.527
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: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1293.215852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.215852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.215852 (E_RNA)
where:
Base-Base interactions energy: -901.866
where: short stacking energy: -374.925
Base-Backbone interact. energy: 0.812
local terms energy: -392.161602
where:
bonds (distance) C4'-P energy: -76.726
bonds (distance) P-C4' energy: -90.403
flat angles C4'-P-C4' energy: -91.074
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -75.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1220.384844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.384844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.384844 (E_RNA)
where:
Base-Base interactions energy: -827.578
where: short stacking energy: -339.210
Base-Backbone interact. energy: -1.939
local terms energy: -390.867390
where:
bonds (distance) C4'-P energy: -89.558
bonds (distance) P-C4' energy: -89.710
flat angles C4'-P-C4' energy: -93.121
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -82.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -996.970482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.970482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.970482 (E_RNA)
where:
Base-Base interactions energy: -619.981
where: short stacking energy: -286.004
Base-Backbone interact. energy: -2.210
local terms energy: -374.779333
where:
bonds (distance) C4'-P energy: -72.819
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -93.791
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -56.862
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -823.208030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.208030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.208030 (E_RNA)
where:
Base-Base interactions energy: -503.260
where: short stacking energy: -248.796
Base-Backbone interact. energy: -0.777
local terms energy: -319.170561
where:
bonds (distance) C4'-P energy: -72.008
bonds (distance) P-C4' energy: -92.345
flat angles C4'-P-C4' energy: -70.656
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1918.459821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.459821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.459821 (E_RNA)
where:
Base-Base interactions energy: -1347.749
where: short stacking energy: -570.074
Base-Backbone interact. energy: -0.411
local terms energy: -570.300005
where:
bonds (distance) C4'-P energy: -109.268
bonds (distance) P-C4' energy: -112.028
flat angles C4'-P-C4' energy: -121.008
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -157.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1853.528551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.528551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.528551 (E_RNA)
where:
Base-Base interactions energy: -1286.192
where: short stacking energy: -532.706
Base-Backbone interact. energy: -1.655
local terms energy: -565.681354
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -99.567
flat angles C4'-P-C4' energy: -123.458
flat angles P-C4'-P energy: -84.659
tors. eta vs tors. theta energy: -150.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1793.163905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.163905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.163905 (E_RNA)
where:
Base-Base interactions energy: -1244.818
where: short stacking energy: -529.934
Base-Backbone interact. energy: -2.587
local terms energy: -545.758865
where:
bonds (distance) C4'-P energy: -101.016
bonds (distance) P-C4' energy: -116.533
flat angles C4'-P-C4' energy: -114.769
flat angles P-C4'-P energy: -67.194
tors. eta vs tors. theta energy: -146.247
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: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1711.700075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.700075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.700075 (E_RNA)
where:
Base-Base interactions energy: -1221.559
where: short stacking energy: -510.948
Base-Backbone interact. energy: 1.520
local terms energy: -491.660394
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -79.093
flat angles C4'-P-C4' energy: -110.377
flat angles P-C4'-P energy: -76.423
tors. eta vs tors. theta energy: -134.013
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: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1634.185334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.185334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.185334 (E_RNA)
where:
Base-Base interactions energy: -1150.978
where: short stacking energy: -473.259
Base-Backbone interact. energy: 1.504
local terms energy: -484.711110
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -96.867
flat angles C4'-P-C4' energy: -111.017
flat angles P-C4'-P energy: -61.676
tors. eta vs tors. theta energy: -114.436
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1492.734134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.734134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.734134 (E_RNA)
where:
Base-Base interactions energy: -1052.297
where: short stacking energy: -450.559
Base-Backbone interact. energy: -0.423
local terms energy: -440.014777
where:
bonds (distance) C4'-P energy: -75.497
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -103.955
flat angles P-C4'-P energy: -56.172
tors. eta vs tors. theta energy: -109.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1341.274409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.274409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.274409 (E_RNA)
where:
Base-Base interactions energy: -913.539
where: short stacking energy: -393.069
Base-Backbone interact. energy: -1.490
local terms energy: -426.245479
where:
bonds (distance) C4'-P energy: -88.404
bonds (distance) P-C4' energy: -89.762
flat angles C4'-P-C4' energy: -100.820
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -92.456
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1217.932319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.932319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.932319 (E_RNA)
where:
Base-Base interactions energy: -829.996
where: short stacking energy: -367.529
Base-Backbone interact. energy: 3.294
local terms energy: -391.229999
where:
bonds (distance) C4'-P energy: -76.119
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -102.746
flat angles P-C4'-P energy: -54.069
tors. eta vs tors. theta energy: -78.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1054.642140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.642140 (E_RNA)
where:
Base-Base interactions energy: -664.663
where: short stacking energy: -318.569
Base-Backbone interact. energy: -0.619
local terms energy: -389.360041
where:
bonds (distance) C4'-P energy: -91.457
bonds (distance) P-C4' energy: -83.981
flat angles C4'-P-C4' energy: -89.468
flat angles P-C4'-P energy: -62.302
tors. eta vs tors. theta energy: -62.153
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: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -883.516461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.516461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.516461 (E_RNA)
where:
Base-Base interactions energy: -542.560
where: short stacking energy: -237.939
Base-Backbone interact. energy: -3.168
local terms energy: -337.788797
where:
bonds (distance) C4'-P energy: -88.886
bonds (distance) P-C4' energy: -89.102
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -59.488
tors. eta vs tors. theta energy: -25.741
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1855.432922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.432922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.432922 (E_RNA)
where:
Base-Base interactions energy: -1293.025
where: short stacking energy: -538.612
Base-Backbone interact. energy: -2.333
local terms energy: -560.074949
where:
bonds (distance) C4'-P energy: -100.899
bonds (distance) P-C4' energy: -104.771
flat angles C4'-P-C4' energy: -123.320
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -153.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1873.523959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.523959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.523959 (E_RNA)
where:
Base-Base interactions energy: -1322.308
where: short stacking energy: -548.537
Base-Backbone interact. energy: -2.829
local terms energy: -548.386241
where:
bonds (distance) C4'-P energy: -86.544
bonds (distance) P-C4' energy: -106.066
flat angles C4'-P-C4' energy: -119.335
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -151.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1805.462733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.462733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.462733 (E_RNA)
where:
Base-Base interactions energy: -1255.653
where: short stacking energy: -557.676
Base-Backbone interact. energy: -0.553
local terms energy: -549.257293
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -110.125
flat angles C4'-P-C4' energy: -115.971
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -153.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1746.104429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.104429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.104429 (E_RNA)
where:
Base-Base interactions energy: -1219.970
where: short stacking energy: -502.724
Base-Backbone interact. energy: -1.933
local terms energy: -524.201196
where:
bonds (distance) C4'-P energy: -97.405
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -102.052
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -136.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1662.895019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.895019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.895019 (E_RNA)
where:
Base-Base interactions energy: -1180.279
where: short stacking energy: -480.842
Base-Backbone interact. energy: -1.509
local terms energy: -481.107559
where:
bonds (distance) C4'-P energy: -100.579
bonds (distance) P-C4' energy: -90.570
flat angles C4'-P-C4' energy: -105.817
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -124.397
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: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1525.842882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.842882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.842882 (E_RNA)
where:
Base-Base interactions energy: -1046.156
where: short stacking energy: -449.652
Base-Backbone interact. energy: 9.185
local terms energy: -488.871443
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -110.440
flat angles C4'-P-C4' energy: -105.515
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -111.204
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: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1344.990784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.990784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.990784 (E_RNA)
where:
Base-Base interactions energy: -928.224
where: short stacking energy: -389.931
Base-Backbone interact. energy: 0.802
local terms energy: -417.568536
where:
bonds (distance) C4'-P energy: -74.471
bonds (distance) P-C4' energy: -92.880
flat angles C4'-P-C4' energy: -109.933
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -78.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1234.949926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.949926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.949926 (E_RNA)
where:
Base-Base interactions energy: -823.577
where: short stacking energy: -336.523
Base-Backbone interact. energy: -0.541
local terms energy: -410.831527
where:
bonds (distance) C4'-P energy: -79.468
bonds (distance) P-C4' energy: -82.381
flat angles C4'-P-C4' energy: -100.159
flat angles P-C4'-P energy: -68.616
tors. eta vs tors. theta energy: -80.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1019.107724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.107724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.107724 (E_RNA)
where:
Base-Base interactions energy: -671.622
where: short stacking energy: -304.912
Base-Backbone interact. energy: 0.686
local terms energy: -348.170955
where:
bonds (distance) C4'-P energy: -82.048
bonds (distance) P-C4' energy: -92.255
flat angles C4'-P-C4' energy: -82.980
flat angles P-C4'-P energy: -48.812
tors. eta vs tors. theta energy: -42.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -859.743246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.743246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.743246 (E_RNA)
where:
Base-Base interactions energy: -533.883
where: short stacking energy: -247.956
Base-Backbone interact. energy: -1.592
local terms energy: -324.268648
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -89.631
flat angles C4'-P-C4' energy: -78.577
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: -36.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1873.104408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.104408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.104408 (E_RNA)
where:
Base-Base interactions energy: -1302.109
where: short stacking energy: -554.218
Base-Backbone interact. energy: -0.731
local terms energy: -570.264168
where:
bonds (distance) C4'-P energy: -105.631
bonds (distance) P-C4' energy: -115.046
flat angles C4'-P-C4' energy: -121.639
flat angles P-C4'-P energy: -83.855
tors. eta vs tors. theta energy: -144.093
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1893.322058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.322058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.322058 (E_RNA)
where:
Base-Base interactions energy: -1334.070
where: short stacking energy: -563.151
Base-Backbone interact. energy: -4.168
local terms energy: -555.084405
where:
bonds (distance) C4'-P energy: -86.636
bonds (distance) P-C4' energy: -105.017
flat angles C4'-P-C4' energy: -124.695
flat angles P-C4'-P energy: -77.328
tors. eta vs tors. theta energy: -161.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1795.615598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.615598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.615598 (E_RNA)
where:
Base-Base interactions energy: -1249.498
where: short stacking energy: -531.971
Base-Backbone interact. energy: 0.637
local terms energy: -546.754373
where:
bonds (distance) C4'-P energy: -91.044
bonds (distance) P-C4' energy: -114.005
flat angles C4'-P-C4' energy: -115.461
flat angles P-C4'-P energy: -78.040
tors. eta vs tors. theta energy: -148.204
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: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1705.966527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.966527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.966527 (E_RNA)
where:
Base-Base interactions energy: -1204.126
where: short stacking energy: -498.096
Base-Backbone interact. energy: -2.709
local terms energy: -499.131446
where:
bonds (distance) C4'-P energy: -95.739
bonds (distance) P-C4' energy: -98.353
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -74.673
tors. eta vs tors. theta energy: -121.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1644.871399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.871399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.871399 (E_RNA)
where:
Base-Base interactions energy: -1144.957
where: short stacking energy: -477.563
Base-Backbone interact. energy: 3.386
local terms energy: -503.299905
where:
bonds (distance) C4'-P energy: -90.296
bonds (distance) P-C4' energy: -109.034
flat angles C4'-P-C4' energy: -102.063
flat angles P-C4'-P energy: -71.904
tors. eta vs tors. theta energy: -130.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1535.158715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.158715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.158715 (E_RNA)
where:
Base-Base interactions energy: -1067.774
where: short stacking energy: -451.818
Base-Backbone interact. energy: 1.547
local terms energy: -468.931853
where:
bonds (distance) C4'-P energy: -81.121
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -94.881
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -120.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1352.053010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.053010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.053010 (E_RNA)
where:
Base-Base interactions energy: -939.352
where: short stacking energy: -374.765
Base-Backbone interact. energy: -0.994
local terms energy: -411.707005
where:
bonds (distance) C4'-P energy: -87.218
bonds (distance) P-C4' energy: -89.060
flat angles C4'-P-C4' energy: -86.599
flat angles P-C4'-P energy: -65.065
tors. eta vs tors. theta energy: -83.765
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: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1263.267296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.267296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.267296 (E_RNA)
where:
Base-Base interactions energy: -862.015
where: short stacking energy: -363.620
Base-Backbone interact. energy: -1.575
local terms energy: -399.677966
where:
bonds (distance) C4'-P energy: -88.954
bonds (distance) P-C4' energy: -70.808
flat angles C4'-P-C4' energy: -101.403
flat angles P-C4'-P energy: -65.807
tors. eta vs tors. theta energy: -72.706
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: 171
Temperature: 1.300000
Total energy: -971.544393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.544393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.544393 (E_RNA)
where:
Base-Base interactions energy: -641.148
where: short stacking energy: -310.848
Base-Backbone interact. energy: 4.416
local terms energy: -334.812708
where:
bonds (distance) C4'-P energy: -77.589
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -84.897
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -40.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -865.427492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.427492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.427492 (E_RNA)
where:
Base-Base interactions energy: -517.870
where: short stacking energy: -259.681
Base-Backbone interact. energy: 5.199
local terms energy: -352.755858
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -95.944
flat angles C4'-P-C4' energy: -70.578
flat angles P-C4'-P energy: -60.557
tors. eta vs tors. theta energy: -33.288
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1903.255311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.255311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.255311 (E_RNA)
where:
Base-Base interactions energy: -1311.453
where: short stacking energy: -543.248
Base-Backbone interact. energy: -3.215
local terms energy: -588.587253
where:
bonds (distance) C4'-P energy: -113.903
bonds (distance) P-C4' energy: -113.599
flat angles C4'-P-C4' energy: -129.792
flat angles P-C4'-P energy: -78.423
tors. eta vs tors. theta energy: -152.872
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: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1835.710439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.710439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.710439 (E_RNA)
where:
Base-Base interactions energy: -1277.019
where: short stacking energy: -550.465
Base-Backbone interact. energy: -2.913
local terms energy: -555.778336
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -108.723
flat angles C4'-P-C4' energy: -111.986
flat angles P-C4'-P energy: -84.083
tors. eta vs tors. theta energy: -143.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1793.017008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.017008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.017008 (E_RNA)
where:
Base-Base interactions energy: -1262.573
where: short stacking energy: -525.981
Base-Backbone interact. energy: -0.734
local terms energy: -529.710232
where:
bonds (distance) C4'-P energy: -81.464
bonds (distance) P-C4' energy: -96.453
flat angles C4'-P-C4' energy: -120.845
flat angles P-C4'-P energy: -81.179
tors. eta vs tors. theta energy: -149.769
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1698.857197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.857197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.857197 (E_RNA)
where:
Base-Base interactions energy: -1180.565
where: short stacking energy: -476.926
Base-Backbone interact. energy: 1.481
local terms energy: -519.773340
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -102.168
flat angles C4'-P-C4' energy: -113.309
flat angles P-C4'-P energy: -81.039
tors. eta vs tors. theta energy: -128.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1648.152149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.152149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.152149 (E_RNA)
where:
Base-Base interactions energy: -1147.952
where: short stacking energy: -462.895
Base-Backbone interact. energy: -1.662
local terms energy: -498.538990
where:
bonds (distance) C4'-P energy: -96.738
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -126.453
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: 172
Temperature: 1.150000
Total energy: -1514.286134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.286134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.286134 (E_RNA)
where:
Base-Base interactions energy: -1058.973
where: short stacking energy: -426.875
Base-Backbone interact. energy: 3.411
local terms energy: -458.723745
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -83.079
flat angles C4'-P-C4' energy: -104.372
flat angles P-C4'-P energy: -65.804
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1320.457263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.457263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.457263 (E_RNA)
where:
Base-Base interactions energy: -885.423
where: short stacking energy: -379.547
Base-Backbone interact. energy: -1.356
local terms energy: -433.678438
where:
bonds (distance) C4'-P energy: -91.135
bonds (distance) P-C4' energy: -90.261
flat angles C4'-P-C4' energy: -98.763
flat angles P-C4'-P energy: -65.016
tors. eta vs tors. theta energy: -88.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1242.165955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.165955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.165955 (E_RNA)
where:
Base-Base interactions energy: -867.465
where: short stacking energy: -373.076
Base-Backbone interact. energy: -2.813
local terms energy: -371.887147
where:
bonds (distance) C4'-P energy: -77.502
bonds (distance) P-C4' energy: -83.944
flat angles C4'-P-C4' energy: -85.074
flat angles P-C4'-P energy: -56.165
tors. eta vs tors. theta energy: -69.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -939.304707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.304707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.304707 (E_RNA)
where:
Base-Base interactions energy: -590.155
where: short stacking energy: -280.449
Base-Backbone interact. energy: -4.082
local terms energy: -345.067567
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -87.426
flat angles C4'-P-C4' energy: -82.174
flat angles P-C4'-P energy: -52.064
tors. eta vs tors. theta energy: -40.669
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -817.887660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.887660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.887660 (E_RNA)
where:
Base-Base interactions energy: -494.362
where: short stacking energy: -233.934
Base-Backbone interact. energy: 4.891
local terms energy: -328.416720
where:
bonds (distance) C4'-P energy: -85.482
bonds (distance) P-C4' energy: -77.577
flat angles C4'-P-C4' energy: -92.563
flat angles P-C4'-P energy: -49.052
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1956.978382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.978382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.978382 (E_RNA)
where:
Base-Base interactions energy: -1358.756
where: short stacking energy: -589.782
Base-Backbone interact. energy: -1.614
local terms energy: -596.608494
where:
bonds (distance) C4'-P energy: -105.812
bonds (distance) P-C4' energy: -113.552
flat angles C4'-P-C4' energy: -123.237
flat angles P-C4'-P energy: -84.401
tors. eta vs tors. theta energy: -169.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1842.958038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.958038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.958038 (E_RNA)
where:
Base-Base interactions energy: -1270.900
where: short stacking energy: -522.674
Base-Backbone interact. energy: -2.294
local terms energy: -569.763794
where:
bonds (distance) C4'-P energy: -104.605
bonds (distance) P-C4' energy: -109.632
flat angles C4'-P-C4' energy: -119.694
flat angles P-C4'-P energy: -87.388
tors. eta vs tors. theta energy: -148.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1839.380695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.380695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.380695 (E_RNA)
where:
Base-Base interactions energy: -1297.390
where: short stacking energy: -548.552
Base-Backbone interact. energy: -1.310
local terms energy: -540.680605
where:
bonds (distance) C4'-P energy: -86.858
bonds (distance) P-C4' energy: -103.202
flat angles C4'-P-C4' energy: -121.718
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -152.996
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: 173
Temperature: 1.050000
Total energy: -1732.150673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.150673 (E_RNA)
where:
Base-Base interactions energy: -1199.560
where: short stacking energy: -502.069
Base-Backbone interact. energy: -2.863
local terms energy: -529.727275
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -103.435
flat angles C4'-P-C4' energy: -109.846
flat angles P-C4'-P energy: -93.149
tors. eta vs tors. theta energy: -138.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1659.904622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.904622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.904622 (E_RNA)
where:
Base-Base interactions energy: -1170.366
where: short stacking energy: -493.145
Base-Backbone interact. energy: -2.323
local terms energy: -487.215016
where:
bonds (distance) C4'-P energy: -88.532
bonds (distance) P-C4' energy: -95.445
flat angles C4'-P-C4' energy: -101.370
flat angles P-C4'-P energy: -68.048
tors. eta vs tors. theta energy: -133.819
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: 173
Temperature: 1.150000
Total energy: -1532.039370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.039370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.039370 (E_RNA)
where:
Base-Base interactions energy: -1047.185
where: short stacking energy: -449.682
Base-Backbone interact. energy: 3.184
local terms energy: -488.038406
where:
bonds (distance) C4'-P energy: -98.126
bonds (distance) P-C4' energy: -95.981
flat angles C4'-P-C4' energy: -113.696
flat angles P-C4'-P energy: -67.400
tors. eta vs tors. theta energy: -112.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1333.453458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.453458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.453458 (E_RNA)
where:
Base-Base interactions energy: -886.690
where: short stacking energy: -366.453
Base-Backbone interact. energy: -2.344
local terms energy: -444.419582
where:
bonds (distance) C4'-P energy: -83.313
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -108.770
flat angles P-C4'-P energy: -66.578
tors. eta vs tors. theta energy: -86.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1278.491400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.491400 (E_RNA)
where:
Base-Base interactions energy: -882.886
where: short stacking energy: -367.512
Base-Backbone interact. energy: 3.106
local terms energy: -398.711939
where:
bonds (distance) C4'-P energy: -86.696
bonds (distance) P-C4' energy: -91.478
flat angles C4'-P-C4' energy: -87.094
flat angles P-C4'-P energy: -52.111
tors. eta vs tors. theta energy: -81.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -992.387665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.387665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.387665 (E_RNA)
where:
Base-Base interactions energy: -633.863
where: short stacking energy: -307.584
Base-Backbone interact. energy: -0.660
local terms energy: -357.864764
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -79.415
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -58.633
tors. eta vs tors. theta energy: -52.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -812.329559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.329559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.329559 (E_RNA)
where:
Base-Base interactions energy: -514.963
where: short stacking energy: -234.291
Base-Backbone interact. energy: 2.546
local terms energy: -299.912525
where:
bonds (distance) C4'-P energy: -66.907
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -76.745
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1922.615870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.615870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.615870 (E_RNA)
where:
Base-Base interactions energy: -1345.379
where: short stacking energy: -568.199
Base-Backbone interact. energy: 2.196
local terms energy: -579.433331
where:
bonds (distance) C4'-P energy: -92.236
bonds (distance) P-C4' energy: -110.221
flat angles C4'-P-C4' energy: -129.916
flat angles P-C4'-P energy: -90.732
tors. eta vs tors. theta energy: -156.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1824.464081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.464081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.464081 (E_RNA)
where:
Base-Base interactions energy: -1263.676
where: short stacking energy: -529.565
Base-Backbone interact. energy: 0.229
local terms energy: -561.017460
where:
bonds (distance) C4'-P energy: -106.569
bonds (distance) P-C4' energy: -98.670
flat angles C4'-P-C4' energy: -122.859
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -146.042
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: 174
Temperature: 1.000000
Total energy: -1786.686726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.686726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.686726 (E_RNA)
where:
Base-Base interactions energy: -1239.290
where: short stacking energy: -518.910
Base-Backbone interact. energy: -0.195
local terms energy: -547.200900
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -122.535
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -142.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1778.021761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.021761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.021761 (E_RNA)
where:
Base-Base interactions energy: -1245.021
where: short stacking energy: -551.026
Base-Backbone interact. energy: -3.604
local terms energy: -529.396503
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -106.253
flat angles C4'-P-C4' energy: -113.967
flat angles P-C4'-P energy: -73.055
tors. eta vs tors. theta energy: -143.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1711.916228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.916228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.916228 (E_RNA)
where:
Base-Base interactions energy: -1211.844
where: short stacking energy: -500.151
Base-Backbone interact. energy: -3.365
local terms energy: -496.707402
where:
bonds (distance) C4'-P energy: -98.656
bonds (distance) P-C4' energy: -85.503
flat angles C4'-P-C4' energy: -114.493
flat angles P-C4'-P energy: -71.258
tors. eta vs tors. theta energy: -126.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1517.282866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.282866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.282866 (E_RNA)
where:
Base-Base interactions energy: -1046.701
where: short stacking energy: -449.239
Base-Backbone interact. energy: -2.919
local terms energy: -467.662673
where:
bonds (distance) C4'-P energy: -84.180
bonds (distance) P-C4' energy: -102.089
flat angles C4'-P-C4' energy: -107.965
flat angles P-C4'-P energy: -63.463
tors. eta vs tors. theta energy: -109.966
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: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1332.210814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.210814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.210814 (E_RNA)
where:
Base-Base interactions energy: -893.483
where: short stacking energy: -358.910
Base-Backbone interact. energy: -2.635
local terms energy: -436.092761
where:
bonds (distance) C4'-P energy: -74.735
bonds (distance) P-C4' energy: -97.245
flat angles C4'-P-C4' energy: -92.440
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -90.688
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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1266.775831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.775831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.775831 (E_RNA)
where:
Base-Base interactions energy: -859.117
where: short stacking energy: -377.746
Base-Backbone interact. energy: -1.641
local terms energy: -406.018061
where:
bonds (distance) C4'-P energy: -85.026
bonds (distance) P-C4' energy: -68.836
flat angles C4'-P-C4' energy: -98.661
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -90.963
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: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -988.663985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.663985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.663985 (E_RNA)
where:
Base-Base interactions energy: -633.352
where: short stacking energy: -284.577
Base-Backbone interact. energy: -2.291
local terms energy: -353.020597
where:
bonds (distance) C4'-P energy: -66.306
bonds (distance) P-C4' energy: -91.394
flat angles C4'-P-C4' energy: -88.120
flat angles P-C4'-P energy: -52.137
tors. eta vs tors. theta energy: -55.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -813.998533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.998533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.998533 (E_RNA)
where:
Base-Base interactions energy: -493.877
where: short stacking energy: -260.274
Base-Backbone interact. energy: 2.543
local terms energy: -322.664340
where:
bonds (distance) C4'-P energy: -77.271
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -61.352
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1908.145335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.145335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.145335 (E_RNA)
where:
Base-Base interactions energy: -1333.195
where: short stacking energy: -553.441
Base-Backbone interact. energy: -3.849
local terms energy: -571.101783
where:
bonds (distance) C4'-P energy: -101.232
bonds (distance) P-C4' energy: -106.826
flat angles C4'-P-C4' energy: -119.623
flat angles P-C4'-P energy: -79.534
tors. eta vs tors. theta energy: -163.886
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: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1822.838661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.838661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.838661 (E_RNA)
where:
Base-Base interactions energy: -1258.274
where: short stacking energy: -529.390
Base-Backbone interact. energy: -2.568
local terms energy: -561.995796
where:
bonds (distance) C4'-P energy: -113.244
bonds (distance) P-C4' energy: -114.063
flat angles C4'-P-C4' energy: -116.235
flat angles P-C4'-P energy: -80.864
tors. eta vs tors. theta energy: -137.590
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: 175
Temperature: 1.000000
Total energy: -1779.708695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.708695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.708695 (E_RNA)
where:
Base-Base interactions energy: -1240.302
where: short stacking energy: -492.545
Base-Backbone interact. energy: -3.002
local terms energy: -536.404874
where:
bonds (distance) C4'-P energy: -94.177
bonds (distance) P-C4' energy: -105.284
flat angles C4'-P-C4' energy: -114.523
flat angles P-C4'-P energy: -87.367
tors. eta vs tors. theta energy: -135.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1808.608535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.608535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.608535 (E_RNA)
where:
Base-Base interactions energy: -1268.623
where: short stacking energy: -549.365
Base-Backbone interact. energy: -2.446
local terms energy: -537.539484
where:
bonds (distance) C4'-P energy: -86.307
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -116.377
flat angles P-C4'-P energy: -84.228
tors. eta vs tors. theta energy: -148.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1669.181181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.181181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.181181 (E_RNA)
where:
Base-Base interactions energy: -1183.719
where: short stacking energy: -494.228
Base-Backbone interact. energy: 2.080
local terms energy: -487.542943
where:
bonds (distance) C4'-P energy: -82.929
bonds (distance) P-C4' energy: -101.926
flat angles C4'-P-C4' energy: -110.221
flat angles P-C4'-P energy: -62.756
tors. eta vs tors. theta energy: -129.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1542.489840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.489840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.489840 (E_RNA)
where:
Base-Base interactions energy: -1074.997
where: short stacking energy: -450.607
Base-Backbone interact. energy: 0.205
local terms energy: -467.697979
where:
bonds (distance) C4'-P energy: -96.333
bonds (distance) P-C4' energy: -99.445
flat angles C4'-P-C4' energy: -100.781
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -110.748
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: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1380.965626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.965626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.965626 (E_RNA)
where:
Base-Base interactions energy: -943.220
where: short stacking energy: -414.360
Base-Backbone interact. energy: 0.303
local terms energy: -438.047980
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -97.926
flat angles P-C4'-P energy: -68.703
tors. eta vs tors. theta energy: -102.818
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: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1279.029214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.029214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.029214 (E_RNA)
where:
Base-Base interactions energy: -855.021
where: short stacking energy: -368.179
Base-Backbone interact. energy: -1.760
local terms energy: -422.247651
where:
bonds (distance) C4'-P energy: -80.467
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -104.308
flat angles P-C4'-P energy: -69.267
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: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1007.495190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.495190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.495190 (E_RNA)
where:
Base-Base interactions energy: -660.791
where: short stacking energy: -298.558
Base-Backbone interact. energy: -0.814
local terms energy: -345.890459
where:
bonds (distance) C4'-P energy: -66.101
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -77.277
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -47.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -794.643774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.643774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.643774 (E_RNA)
where:
Base-Base interactions energy: -477.280
where: short stacking energy: -239.362
Base-Backbone interact. energy: -3.327
local terms energy: -314.036947
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -81.859
flat angles C4'-P-C4' energy: -76.544
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -30.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1908.758666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.758666 (E_RNA)
where:
Base-Base interactions energy: -1335.973
where: short stacking energy: -542.627
Base-Backbone interact. energy: 1.978
local terms energy: -574.763787
where:
bonds (distance) C4'-P energy: -105.097
bonds (distance) P-C4' energy: -115.785
flat angles C4'-P-C4' energy: -111.943
flat angles P-C4'-P energy: -85.029
tors. eta vs tors. theta energy: -156.910
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1825.635903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.635903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.635903 (E_RNA)
where:
Base-Base interactions energy: -1255.847
where: short stacking energy: -530.275
Base-Backbone interact. energy: -2.772
local terms energy: -567.017015
where:
bonds (distance) C4'-P energy: -109.302
bonds (distance) P-C4' energy: -104.713
flat angles C4'-P-C4' energy: -118.052
flat angles P-C4'-P energy: -90.682
tors. eta vs tors. theta energy: -144.268
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: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1773.877451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.877451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.877451 (E_RNA)
where:
Base-Base interactions energy: -1217.852
where: short stacking energy: -505.896
Base-Backbone interact. energy: -0.397
local terms energy: -555.628487
where:
bonds (distance) C4'-P energy: -105.674
bonds (distance) P-C4' energy: -103.655
flat angles C4'-P-C4' energy: -118.503
flat angles P-C4'-P energy: -79.915
tors. eta vs tors. theta energy: -147.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1768.753024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.753024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.753024 (E_RNA)
where:
Base-Base interactions energy: -1245.854
where: short stacking energy: -519.932
Base-Backbone interact. energy: -1.992
local terms energy: -520.906885
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -90.691
flat angles C4'-P-C4' energy: -106.259
flat angles P-C4'-P energy: -81.203
tors. eta vs tors. theta energy: -136.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1676.363620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.363620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.363620 (E_RNA)
where:
Base-Base interactions energy: -1171.124
where: short stacking energy: -490.517
Base-Backbone interact. energy: -2.344
local terms energy: -502.895418
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -102.079
flat angles C4'-P-C4' energy: -110.486
flat angles P-C4'-P energy: -74.189
tors. eta vs tors. theta energy: -119.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1539.927621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.927621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.927621 (E_RNA)
where:
Base-Base interactions energy: -1064.006
where: short stacking energy: -464.724
Base-Backbone interact. energy: -1.738
local terms energy: -474.184177
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -103.183
flat angles P-C4'-P energy: -69.956
tors. eta vs tors. theta energy: -124.188
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: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1341.151764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.151764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.151764 (E_RNA)
where:
Base-Base interactions energy: -890.702
where: short stacking energy: -368.003
Base-Backbone interact. energy: -0.348
local terms energy: -450.101791
where:
bonds (distance) C4'-P energy: -104.257
bonds (distance) P-C4' energy: -83.775
flat angles C4'-P-C4' energy: -98.306
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -83.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1233.793632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.793632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.793632 (E_RNA)
where:
Base-Base interactions energy: -848.324
where: short stacking energy: -379.296
Base-Backbone interact. energy: -1.956
local terms energy: -383.513532
where:
bonds (distance) C4'-P energy: -77.520
bonds (distance) P-C4' energy: -89.043
flat angles C4'-P-C4' energy: -92.870
flat angles P-C4'-P energy: -55.866
tors. eta vs tors. theta energy: -68.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1054.291559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.291559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.291559 (E_RNA)
where:
Base-Base interactions energy: -651.781
where: short stacking energy: -297.670
Base-Backbone interact. energy: 0.886
local terms energy: -403.396873
where:
bonds (distance) C4'-P energy: -87.785
bonds (distance) P-C4' energy: -94.926
flat angles C4'-P-C4' energy: -102.368
flat angles P-C4'-P energy: -53.099
tors. eta vs tors. theta energy: -65.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -777.125129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.125129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.125129 (E_RNA)
where:
Base-Base interactions energy: -449.945
where: short stacking energy: -215.485
Base-Backbone interact. energy: -2.821
local terms energy: -324.359399
where:
bonds (distance) C4'-P energy: -75.308
bonds (distance) P-C4' energy: -97.966
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -38.224
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: 177
Temperature: 0.900000
Total energy: -1923.954257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.954257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.954257 (E_RNA)
where:
Base-Base interactions energy: -1338.156
where: short stacking energy: -542.939
Base-Backbone interact. energy: -3.324
local terms energy: -582.473957
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -109.015
flat angles C4'-P-C4' energy: -122.724
flat angles P-C4'-P energy: -84.505
tors. eta vs tors. theta energy: -167.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1821.565127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.565127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.565127 (E_RNA)
where:
Base-Base interactions energy: -1266.387
where: short stacking energy: -548.231
Base-Backbone interact. energy: -1.742
local terms energy: -553.436839
where:
bonds (distance) C4'-P energy: -92.632
bonds (distance) P-C4' energy: -111.882
flat angles C4'-P-C4' energy: -113.748
flat angles P-C4'-P energy: -81.678
tors. eta vs tors. theta energy: -153.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1789.018889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.018889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.018889 (E_RNA)
where:
Base-Base interactions energy: -1246.285
where: short stacking energy: -496.957
Base-Backbone interact. energy: -3.016
local terms energy: -539.717705
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -102.634
flat angles C4'-P-C4' energy: -120.081
flat angles P-C4'-P energy: -79.129
tors. eta vs tors. theta energy: -140.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1801.685785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.685785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.685785 (E_RNA)
where:
Base-Base interactions energy: -1270.111
where: short stacking energy: -523.835
Base-Backbone interact. energy: -1.807
local terms energy: -529.767925
where:
bonds (distance) C4'-P energy: -86.003
bonds (distance) P-C4' energy: -89.952
flat angles C4'-P-C4' energy: -112.469
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -147.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1589.803979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.803979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.803979 (E_RNA)
where:
Base-Base interactions energy: -1101.959
where: short stacking energy: -444.132
Base-Backbone interact. energy: 3.026
local terms energy: -490.870899
where:
bonds (distance) C4'-P energy: -91.541
bonds (distance) P-C4' energy: -100.026
flat angles C4'-P-C4' energy: -106.579
flat angles P-C4'-P energy: -79.746
tors. eta vs tors. theta energy: -112.979
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: 177
Temperature: 1.150000
Total energy: -1516.913052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.913052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.913052 (E_RNA)
where:
Base-Base interactions energy: -1027.660
where: short stacking energy: -439.723
Base-Backbone interact. energy: -0.927
local terms energy: -488.326991
where:
bonds (distance) C4'-P energy: -89.265
bonds (distance) P-C4' energy: -102.218
flat angles C4'-P-C4' energy: -114.746
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -120.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1365.498606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.498606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.498606 (E_RNA)
where:
Base-Base interactions energy: -906.506
where: short stacking energy: -404.071
Base-Backbone interact. energy: 0.938
local terms energy: -459.930561
where:
bonds (distance) C4'-P energy: -83.308
bonds (distance) P-C4' energy: -93.346
flat angles C4'-P-C4' energy: -111.375
flat angles P-C4'-P energy: -68.034
tors. eta vs tors. theta energy: -103.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1228.336386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.336386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.336386 (E_RNA)
where:
Base-Base interactions energy: -803.730
where: short stacking energy: -346.659
Base-Backbone interact. energy: 3.023
local terms energy: -427.629368
where:
bonds (distance) C4'-P energy: -84.757
bonds (distance) P-C4' energy: -100.823
flat angles C4'-P-C4' energy: -92.604
flat angles P-C4'-P energy: -73.114
tors. eta vs tors. theta energy: -76.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1044.242367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.242367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.242367 (E_RNA)
where:
Base-Base interactions energy: -657.358
where: short stacking energy: -305.059
Base-Backbone interact. energy: -0.306
local terms energy: -386.577756
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -91.701
flat angles C4'-P-C4' energy: -86.531
flat angles P-C4'-P energy: -69.084
tors. eta vs tors. theta energy: -51.811
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: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -765.957064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.957064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.957064 (E_RNA)
where:
Base-Base interactions energy: -459.512
where: short stacking energy: -219.942
Base-Backbone interact. energy: -1.087
local terms energy: -305.357968
where:
bonds (distance) C4'-P energy: -94.731
bonds (distance) P-C4' energy: -80.738
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -50.555
tors. eta vs tors. theta energy: -10.231
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1915.328232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.328232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.328232 (E_RNA)
where:
Base-Base interactions energy: -1359.937
where: short stacking energy: -557.983
Base-Backbone interact. energy: -1.157
local terms energy: -554.234624
where:
bonds (distance) C4'-P energy: -105.207
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -113.268
flat angles P-C4'-P energy: -78.381
tors. eta vs tors. theta energy: -148.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1816.827641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.827641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.827641 (E_RNA)
where:
Base-Base interactions energy: -1278.232
where: short stacking energy: -511.979
Base-Backbone interact. energy: -4.021
local terms energy: -534.574667
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -95.407
flat angles C4'-P-C4' energy: -115.673
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -137.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1783.575892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.575892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.575892 (E_RNA)
where:
Base-Base interactions energy: -1261.166
where: short stacking energy: -514.500
Base-Backbone interact. energy: 0.380
local terms energy: -522.789118
where:
bonds (distance) C4'-P energy: -88.772
bonds (distance) P-C4' energy: -104.518
flat angles C4'-P-C4' energy: -109.290
flat angles P-C4'-P energy: -78.556
tors. eta vs tors. theta energy: -141.654
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1762.719403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.719403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.719403 (E_RNA)
where:
Base-Base interactions energy: -1240.171
where: short stacking energy: -501.404
Base-Backbone interact. energy: -1.174
local terms energy: -521.374976
where:
bonds (distance) C4'-P energy: -101.245
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -109.186
flat angles P-C4'-P energy: -81.436
tors. eta vs tors. theta energy: -131.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1607.404432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.404432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.404432 (E_RNA)
where:
Base-Base interactions energy: -1124.866
where: short stacking energy: -472.501
Base-Backbone interact. energy: -0.723
local terms energy: -481.814842
where:
bonds (distance) C4'-P energy: -90.793
bonds (distance) P-C4' energy: -101.438
flat angles C4'-P-C4' energy: -90.921
flat angles P-C4'-P energy: -63.735
tors. eta vs tors. theta energy: -134.929
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: 178
Temperature: 1.150000
Total energy: -1509.003351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.003351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.003351 (E_RNA)
where:
Base-Base interactions energy: -1056.088
where: short stacking energy: -438.166
Base-Backbone interact. energy: -1.059
local terms energy: -451.856474
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -78.568
flat angles C4'-P-C4' energy: -106.645
flat angles P-C4'-P energy: -72.982
tors. eta vs tors. theta energy: -102.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1386.138370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.138370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.138370 (E_RNA)
where:
Base-Base interactions energy: -953.648
where: short stacking energy: -415.669
Base-Backbone interact. energy: 1.277
local terms energy: -433.768013
where:
bonds (distance) C4'-P energy: -67.409
bonds (distance) P-C4' energy: -103.888
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -100.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1195.760489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.760489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.760489 (E_RNA)
where:
Base-Base interactions energy: -802.045
where: short stacking energy: -344.943
Base-Backbone interact. energy: -0.351
local terms energy: -393.364755
where:
bonds (distance) C4'-P energy: -74.046
bonds (distance) P-C4' energy: -85.282
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -77.378
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: 178
Temperature: 1.300000
Total energy: -1015.387863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.387863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.387863 (E_RNA)
where:
Base-Base interactions energy: -673.680
where: short stacking energy: -288.423
Base-Backbone interact. energy: 2.854
local terms energy: -344.561433
where:
bonds (distance) C4'-P energy: -73.546
bonds (distance) P-C4' energy: -94.960
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -54.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -779.139955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.139955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.139955 (E_RNA)
where:
Base-Base interactions energy: -490.852
where: short stacking energy: -223.028
Base-Backbone interact. energy: 0.135
local terms energy: -288.422718
where:
bonds (distance) C4'-P energy: -74.527
bonds (distance) P-C4' energy: -75.454
flat angles C4'-P-C4' energy: -70.840
flat angles P-C4'-P energy: -51.214
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1916.851803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.851803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.851803 (E_RNA)
where:
Base-Base interactions energy: -1344.797
where: short stacking energy: -538.795
Base-Backbone interact. energy: 2.084
local terms energy: -574.138860
where:
bonds (distance) C4'-P energy: -107.367
bonds (distance) P-C4' energy: -109.503
flat angles C4'-P-C4' energy: -123.904
flat angles P-C4'-P energy: -85.861
tors. eta vs tors. theta energy: -147.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1788.611020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.611020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.611020 (E_RNA)
where:
Base-Base interactions energy: -1234.398
where: short stacking energy: -531.545
Base-Backbone interact. energy: -2.288
local terms energy: -551.925494
where:
bonds (distance) C4'-P energy: -95.665
bonds (distance) P-C4' energy: -104.425
flat angles C4'-P-C4' energy: -111.827
flat angles P-C4'-P energy: -86.310
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: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1789.555108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.555108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.555108 (E_RNA)
where:
Base-Base interactions energy: -1241.215
where: short stacking energy: -517.737
Base-Backbone interact. energy: -1.266
local terms energy: -547.074668
where:
bonds (distance) C4'-P energy: -111.846
bonds (distance) P-C4' energy: -102.910
flat angles C4'-P-C4' energy: -113.773
flat angles P-C4'-P energy: -85.838
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: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1734.384211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.384211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.384211 (E_RNA)
where:
Base-Base interactions energy: -1202.819
where: short stacking energy: -500.316
Base-Backbone interact. energy: 0.271
local terms energy: -531.836305
where:
bonds (distance) C4'-P energy: -109.837
bonds (distance) P-C4' energy: -88.730
flat angles C4'-P-C4' energy: -118.551
flat angles P-C4'-P energy: -80.505
tors. eta vs tors. theta energy: -134.214
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1614.298439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.298439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.298439 (E_RNA)
where:
Base-Base interactions energy: -1124.014
where: short stacking energy: -465.970
Base-Backbone interact. energy: -0.776
local terms energy: -489.508538
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -97.290
flat angles C4'-P-C4' energy: -107.472
flat angles P-C4'-P energy: -76.582
tors. eta vs tors. theta energy: -120.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1514.103505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.103505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.103505 (E_RNA)
where:
Base-Base interactions energy: -1062.056
where: short stacking energy: -457.987
Base-Backbone interact. energy: -0.969
local terms energy: -451.078313
where:
bonds (distance) C4'-P energy: -93.076
bonds (distance) P-C4' energy: -86.139
flat angles C4'-P-C4' energy: -98.792
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -115.902
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: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1338.717187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.717187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.717187 (E_RNA)
where:
Base-Base interactions energy: -928.777
where: short stacking energy: -392.889
Base-Backbone interact. energy: -0.090
local terms energy: -409.850110
where:
bonds (distance) C4'-P energy: -82.539
bonds (distance) P-C4' energy: -87.161
flat angles C4'-P-C4' energy: -89.169
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -89.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1168.412035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.412035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.412035 (E_RNA)
where:
Base-Base interactions energy: -776.291
where: short stacking energy: -360.454
Base-Backbone interact. energy: 0.911
local terms energy: -393.031784
where:
bonds (distance) C4'-P energy: -65.962
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -93.738
flat angles P-C4'-P energy: -67.089
tors. eta vs tors. theta energy: -71.576
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: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1044.101443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.101443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.101443 (E_RNA)
where:
Base-Base interactions energy: -665.812
where: short stacking energy: -304.034
Base-Backbone interact. energy: -0.196
local terms energy: -378.094051
where:
bonds (distance) C4'-P energy: -81.075
bonds (distance) P-C4' energy: -85.808
flat angles C4'-P-C4' energy: -92.676
flat angles P-C4'-P energy: -59.082
tors. eta vs tors. theta energy: -59.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -855.683624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.683624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.683624 (E_RNA)
where:
Base-Base interactions energy: -520.540
where: short stacking energy: -266.494
Base-Backbone interact. energy: 3.732
local terms energy: -338.876153
where:
bonds (distance) C4'-P energy: -90.844
bonds (distance) P-C4' energy: -87.877
flat angles C4'-P-C4' energy: -81.837
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -39.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1908.914738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.914738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.914738 (E_RNA)
where:
Base-Base interactions energy: -1340.797
where: short stacking energy: -569.264
Base-Backbone interact. energy: -3.916
local terms energy: -564.202202
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -123.768
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: -161.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1837.974996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.974996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.974996 (E_RNA)
where:
Base-Base interactions energy: -1260.701
where: short stacking energy: -536.483
Base-Backbone interact. energy: -4.067
local terms energy: -573.206900
where:
bonds (distance) C4'-P energy: -104.761
bonds (distance) P-C4' energy: -107.000
flat angles C4'-P-C4' energy: -126.041
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -148.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1757.795854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.795854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.795854 (E_RNA)
where:
Base-Base interactions energy: -1266.957
where: short stacking energy: -506.970
Base-Backbone interact. energy: -2.209
local terms energy: -488.629824
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -90.319
flat angles C4'-P-C4' energy: -96.429
flat angles P-C4'-P energy: -72.875
tors. eta vs tors. theta energy: -134.580
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: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1708.126139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.126139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.126139 (E_RNA)
where:
Base-Base interactions energy: -1209.590
where: short stacking energy: -500.424
Base-Backbone interact. energy: 1.640
local terms energy: -500.175412
where:
bonds (distance) C4'-P energy: -94.317
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -116.653
flat angles P-C4'-P energy: -59.563
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1587.186986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.186986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.186986 (E_RNA)
where:
Base-Base interactions energy: -1099.626
where: short stacking energy: -456.970
Base-Backbone interact. energy: -4.527
local terms energy: -483.033716
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -93.468
flat angles C4'-P-C4' energy: -103.093
flat angles P-C4'-P energy: -69.465
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: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1543.599304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.599304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.599304 (E_RNA)
where:
Base-Base interactions energy: -1044.214
where: short stacking energy: -438.923
Base-Backbone interact. energy: -3.960
local terms energy: -495.425167
where:
bonds (distance) C4'-P energy: -104.943
bonds (distance) P-C4' energy: -96.168
flat angles C4'-P-C4' energy: -113.706
flat angles P-C4'-P energy: -79.473
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: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1321.731495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.731495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.731495 (E_RNA)
where:
Base-Base interactions energy: -903.620
where: short stacking energy: -398.586
Base-Backbone interact. energy: -0.676
local terms energy: -417.435012
where:
bonds (distance) C4'-P energy: -73.025
bonds (distance) P-C4' energy: -95.850
flat angles C4'-P-C4' energy: -97.232
flat angles P-C4'-P energy: -68.294
tors. eta vs tors. theta energy: -83.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1214.430966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.430966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.430966 (E_RNA)
where:
Base-Base interactions energy: -822.987
where: short stacking energy: -362.283
Base-Backbone interact. energy: 2.058
local terms energy: -393.502063
where:
bonds (distance) C4'-P energy: -78.275
bonds (distance) P-C4' energy: -103.567
flat angles C4'-P-C4' energy: -98.033
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -67.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -998.085079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.085079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.085079 (E_RNA)
where:
Base-Base interactions energy: -625.911
where: short stacking energy: -283.511
Base-Backbone interact. energy: -3.700
local terms energy: -368.474257
where:
bonds (distance) C4'-P energy: -83.024
bonds (distance) P-C4' energy: -99.335
flat angles C4'-P-C4' energy: -91.952
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -50.573
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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -829.412612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.412612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.412612 (E_RNA)
where:
Base-Base interactions energy: -499.531
where: short stacking energy: -254.435
Base-Backbone interact. energy: -1.994
local terms energy: -327.887678
where:
bonds (distance) C4'-P energy: -87.890
bonds (distance) P-C4' energy: -93.404
flat angles C4'-P-C4' energy: -84.510
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1908.513660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.513660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.513660 (E_RNA)
where:
Base-Base interactions energy: -1324.607
where: short stacking energy: -576.305
Base-Backbone interact. energy: -3.496
local terms energy: -580.410867
where:
bonds (distance) C4'-P energy: -108.676
bonds (distance) P-C4' energy: -113.136
flat angles C4'-P-C4' energy: -126.866
flat angles P-C4'-P energy: -69.362
tors. eta vs tors. theta energy: -162.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1805.214845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.214845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.214845 (E_RNA)
where:
Base-Base interactions energy: -1246.845
where: short stacking energy: -513.131
Base-Backbone interact. energy: -0.367
local terms energy: -558.003441
where:
bonds (distance) C4'-P energy: -108.508
bonds (distance) P-C4' energy: -99.101
flat angles C4'-P-C4' energy: -123.893
flat angles P-C4'-P energy: -79.874
tors. eta vs tors. theta energy: -146.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1732.982477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.982477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.982477 (E_RNA)
where:
Base-Base interactions energy: -1240.614
where: short stacking energy: -519.806
Base-Backbone interact. energy: -2.326
local terms energy: -490.043240
where:
bonds (distance) C4'-P energy: -91.840
bonds (distance) P-C4' energy: -85.233
flat angles C4'-P-C4' energy: -115.892
flat angles P-C4'-P energy: -65.164
tors. eta vs tors. theta energy: -131.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1736.326630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.326630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.326630 (E_RNA)
where:
Base-Base interactions energy: -1228.801
where: short stacking energy: -516.613
Base-Backbone interact. energy: -1.342
local terms energy: -506.183392
where:
bonds (distance) C4'-P energy: -88.237
bonds (distance) P-C4' energy: -93.421
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -141.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1636.326308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.326308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.326308 (E_RNA)
where:
Base-Base interactions energy: -1142.040
where: short stacking energy: -476.964
Base-Backbone interact. energy: -3.210
local terms energy: -491.076062
where:
bonds (distance) C4'-P energy: -101.173
bonds (distance) P-C4' energy: -94.233
flat angles C4'-P-C4' energy: -105.247
flat angles P-C4'-P energy: -72.786
tors. eta vs tors. theta energy: -117.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1581.426848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.426848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.426848 (E_RNA)
where:
Base-Base interactions energy: -1095.939
where: short stacking energy: -446.151
Base-Backbone interact. energy: 0.404
local terms energy: -485.892453
where:
bonds (distance) C4'-P energy: -93.274
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -95.922
flat angles P-C4'-P energy: -71.715
tors. eta vs tors. theta energy: -123.575
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: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1287.295051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.295051 (E_RNA)
where:
Base-Base interactions energy: -879.874
where: short stacking energy: -369.903
Base-Backbone interact. energy: -4.856
local terms energy: -402.565022
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -84.368
flat angles C4'-P-C4' energy: -107.034
flat angles P-C4'-P energy: -54.754
tors. eta vs tors. theta energy: -75.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1225.584943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.584943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.584943 (E_RNA)
where:
Base-Base interactions energy: -822.246
where: short stacking energy: -347.349
Base-Backbone interact. energy: -0.382
local terms energy: -402.956548
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -97.538
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -51.795
tors. eta vs tors. theta energy: -70.674
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: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1005.570928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.570928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.570928 (E_RNA)
where:
Base-Base interactions energy: -629.122
where: short stacking energy: -309.436
Base-Backbone interact. energy: 6.618
local terms energy: -383.067427
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -84.783
flat angles C4'-P-C4' energy: -93.439
flat angles P-C4'-P energy: -60.520
tors. eta vs tors. theta energy: -60.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -816.525012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.525012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.525012 (E_RNA)
where:
Base-Base interactions energy: -466.846
where: short stacking energy: -225.179
Base-Backbone interact. energy: -0.701
local terms energy: -348.977947
where:
bonds (distance) C4'-P energy: -83.147
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -83.834
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -32.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1938.076893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.076893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.076893 (E_RNA)
where:
Base-Base interactions energy: -1332.351
where: short stacking energy: -565.552
Base-Backbone interact. energy: -2.707
local terms energy: -603.019514
where:
bonds (distance) C4'-P energy: -106.337
bonds (distance) P-C4' energy: -111.294
flat angles C4'-P-C4' energy: -123.664
flat angles P-C4'-P energy: -92.528
tors. eta vs tors. theta energy: -169.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1798.075712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.075712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.075712 (E_RNA)
where:
Base-Base interactions energy: -1242.435
where: short stacking energy: -550.329
Base-Backbone interact. energy: 3.554
local terms energy: -559.194779
where:
bonds (distance) C4'-P energy: -104.138
bonds (distance) P-C4' energy: -113.076
flat angles C4'-P-C4' energy: -122.391
flat angles P-C4'-P energy: -65.256
tors. eta vs tors. theta energy: -154.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1784.485096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.485096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.485096 (E_RNA)
where:
Base-Base interactions energy: -1253.416
where: short stacking energy: -512.276
Base-Backbone interact. energy: -0.825
local terms energy: -530.243998
where:
bonds (distance) C4'-P energy: -99.052
bonds (distance) P-C4' energy: -105.722
flat angles C4'-P-C4' energy: -119.411
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -132.050
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: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1744.327936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.327936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.327936 (E_RNA)
where:
Base-Base interactions energy: -1218.544
where: short stacking energy: -483.180
Base-Backbone interact. energy: -3.673
local terms energy: -522.111450
where:
bonds (distance) C4'-P energy: -96.393
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -116.689
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -131.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1624.999743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.999743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.999743 (E_RNA)
where:
Base-Base interactions energy: -1124.158
where: short stacking energy: -480.422
Base-Backbone interact. energy: -1.526
local terms energy: -499.315436
where:
bonds (distance) C4'-P energy: -98.995
bonds (distance) P-C4' energy: -95.593
flat angles C4'-P-C4' energy: -98.899
flat angles P-C4'-P energy: -84.765
tors. eta vs tors. theta energy: -121.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1533.083674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.083674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.083674 (E_RNA)
where:
Base-Base interactions energy: -1067.559
where: short stacking energy: -443.539
Base-Backbone interact. energy: -1.876
local terms energy: -463.649031
where:
bonds (distance) C4'-P energy: -85.738
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -94.242
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -114.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1308.520952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.520952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.520952 (E_RNA)
where:
Base-Base interactions energy: -884.549
where: short stacking energy: -373.075
Base-Backbone interact. energy: -0.858
local terms energy: -423.114292
where:
bonds (distance) C4'-P energy: -84.766
bonds (distance) P-C4' energy: -96.204
flat angles C4'-P-C4' energy: -98.775
flat angles P-C4'-P energy: -59.335
tors. eta vs tors. theta energy: -84.035
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: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1271.318746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.318746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.318746 (E_RNA)
where:
Base-Base interactions energy: -859.516
where: short stacking energy: -358.226
Base-Backbone interact. energy: -1.440
local terms energy: -410.363209
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -93.958
flat angles C4'-P-C4' energy: -109.108
flat angles P-C4'-P energy: -54.305
tors. eta vs tors. theta energy: -78.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1003.338775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.338775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.338775 (E_RNA)
where:
Base-Base interactions energy: -630.888
where: short stacking energy: -289.875
Base-Backbone interact. energy: -1.020
local terms energy: -371.431146
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -94.521
flat angles C4'-P-C4' energy: -92.111
flat angles P-C4'-P energy: -55.118
tors. eta vs tors. theta energy: -37.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -859.345950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.345950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.345950 (E_RNA)
where:
Base-Base interactions energy: -531.177
where: short stacking energy: -248.892
Base-Backbone interact. energy: -1.101
local terms energy: -327.067920
where:
bonds (distance) C4'-P energy: -84.344
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -48.122
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1932.393459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.393459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.393459 (E_RNA)
where:
Base-Base interactions energy: -1357.528
where: short stacking energy: -547.619
Base-Backbone interact. energy: -5.212
local terms energy: -569.653931
where:
bonds (distance) C4'-P energy: -102.933
bonds (distance) P-C4' energy: -96.140
flat angles C4'-P-C4' energy: -123.036
flat angles P-C4'-P energy: -81.896
tors. eta vs tors. theta energy: -165.649
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: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1803.918677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.918677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.918677 (E_RNA)
where:
Base-Base interactions energy: -1278.505
where: short stacking energy: -520.889
Base-Backbone interact. energy: -0.909
local terms energy: -524.503985
where:
bonds (distance) C4'-P energy: -92.090
bonds (distance) P-C4' energy: -104.648
flat angles C4'-P-C4' energy: -115.914
flat angles P-C4'-P energy: -76.345
tors. eta vs tors. theta energy: -135.507
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: 183
Temperature: 1.000000
Total energy: -1807.081285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.081285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.081285 (E_RNA)
where:
Base-Base interactions energy: -1232.716
where: short stacking energy: -519.422
Base-Backbone interact. energy: -3.381
local terms energy: -570.984342
where:
bonds (distance) C4'-P energy: -98.402
bonds (distance) P-C4' energy: -114.362
flat angles C4'-P-C4' energy: -122.400
flat angles P-C4'-P energy: -88.277
tors. eta vs tors. theta energy: -147.543
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: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1725.247023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.247023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.247023 (E_RNA)
where:
Base-Base interactions energy: -1208.805
where: short stacking energy: -497.909
Base-Backbone interact. energy: -1.869
local terms energy: -514.572308
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -103.750
flat angles C4'-P-C4' energy: -103.048
flat angles P-C4'-P energy: -69.723
tors. eta vs tors. theta energy: -136.605
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: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1635.980140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.980140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.980140 (E_RNA)
where:
Base-Base interactions energy: -1134.685
where: short stacking energy: -452.527
Base-Backbone interact. energy: -2.096
local terms energy: -499.198249
where:
bonds (distance) C4'-P energy: -84.397
bonds (distance) P-C4' energy: -107.898
flat angles C4'-P-C4' energy: -111.473
flat angles P-C4'-P energy: -78.580
tors. eta vs tors. theta energy: -116.850
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: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1488.330208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.330208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.330208 (E_RNA)
where:
Base-Base interactions energy: -1035.045
where: short stacking energy: -426.105
Base-Backbone interact. energy: -0.492
local terms energy: -452.793574
where:
bonds (distance) C4'-P energy: -99.740
bonds (distance) P-C4' energy: -83.944
flat angles C4'-P-C4' energy: -102.772
flat angles P-C4'-P energy: -65.014
tors. eta vs tors. theta energy: -101.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1314.863070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.863070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.863070 (E_RNA)
where:
Base-Base interactions energy: -882.913
where: short stacking energy: -371.363
Base-Backbone interact. energy: 3.004
local terms energy: -434.954715
where:
bonds (distance) C4'-P energy: -97.339
bonds (distance) P-C4' energy: -103.578
flat angles C4'-P-C4' energy: -92.248
flat angles P-C4'-P energy: -55.530
tors. eta vs tors. theta energy: -86.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1297.151705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.151705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.151705 (E_RNA)
where:
Base-Base interactions energy: -854.681
where: short stacking energy: -381.168
Base-Backbone interact. energy: -1.353
local terms energy: -441.117313
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -79.458
flat angles C4'-P-C4' energy: -102.346
flat angles P-C4'-P energy: -68.419
tors. eta vs tors. theta energy: -102.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1025.348845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.348845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.348845 (E_RNA)
where:
Base-Base interactions energy: -661.044
where: short stacking energy: -298.559
Base-Backbone interact. energy: 0.919
local terms energy: -365.223619
where:
bonds (distance) C4'-P energy: -87.574
bonds (distance) P-C4' energy: -84.903
flat angles C4'-P-C4' energy: -89.517
flat angles P-C4'-P energy: -56.712
tors. eta vs tors. theta energy: -46.517
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: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -844.270424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.270424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.270424 (E_RNA)
where:
Base-Base interactions energy: -506.609
where: short stacking energy: -241.600
Base-Backbone interact. energy: -1.861
local terms energy: -335.800594
where:
bonds (distance) C4'-P energy: -81.849
bonds (distance) P-C4' energy: -78.322
flat angles C4'-P-C4' energy: -77.196
flat angles P-C4'-P energy: -57.557
tors. eta vs tors. theta energy: -40.877
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: 184
Temperature: 0.900000
Total energy: -1927.185375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.185375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.185375 (E_RNA)
where:
Base-Base interactions energy: -1330.663
where: short stacking energy: -578.449
Base-Backbone interact. energy: -5.303
local terms energy: -591.219561
where:
bonds (distance) C4'-P energy: -108.074
bonds (distance) P-C4' energy: -114.517
flat angles C4'-P-C4' energy: -114.966
flat angles P-C4'-P energy: -83.102
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: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1781.282274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.282274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.282274 (E_RNA)
where:
Base-Base interactions energy: -1238.606
where: short stacking energy: -528.854
Base-Backbone interact. energy: -4.562
local terms energy: -538.114463
where:
bonds (distance) C4'-P energy: -93.304
bonds (distance) P-C4' energy: -110.793
flat angles C4'-P-C4' energy: -114.069
flat angles P-C4'-P energy: -74.599
tors. eta vs tors. theta energy: -145.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1795.426081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.426081 (E_RNA)
where:
Base-Base interactions energy: -1249.618
where: short stacking energy: -518.976
Base-Backbone interact. energy: -2.116
local terms energy: -543.692644
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -112.675
flat angles C4'-P-C4' energy: -124.373
flat angles P-C4'-P energy: -77.400
tors. eta vs tors. theta energy: -140.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1722.067529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.067529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.067529 (E_RNA)
where:
Base-Base interactions energy: -1202.536
where: short stacking energy: -511.100
Base-Backbone interact. energy: -0.825
local terms energy: -518.706185
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -93.004
flat angles C4'-P-C4' energy: -98.993
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -141.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1643.906075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.906075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.906075 (E_RNA)
where:
Base-Base interactions energy: -1147.030
where: short stacking energy: -455.856
Base-Backbone interact. energy: -1.497
local terms energy: -495.379502
where:
bonds (distance) C4'-P energy: -86.446
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -113.634
flat angles P-C4'-P energy: -80.952
tors. eta vs tors. theta energy: -109.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1585.780239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.780239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.780239 (E_RNA)
where:
Base-Base interactions energy: -1110.635
where: short stacking energy: -450.975
Base-Backbone interact. energy: 0.325
local terms energy: -475.469513
where:
bonds (distance) C4'-P energy: -94.832
bonds (distance) P-C4' energy: -90.753
flat angles C4'-P-C4' energy: -113.163
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -112.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1360.307705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.307705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.307705 (E_RNA)
where:
Base-Base interactions energy: -929.941
where: short stacking energy: -401.607
Base-Backbone interact. energy: -0.233
local terms energy: -430.134116
where:
bonds (distance) C4'-P energy: -77.331
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -102.561
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -93.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1253.194486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.194486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.194486 (E_RNA)
where:
Base-Base interactions energy: -848.147
where: short stacking energy: -378.694
Base-Backbone interact. energy: 3.455
local terms energy: -408.502448
where:
bonds (distance) C4'-P energy: -88.073
bonds (distance) P-C4' energy: -96.873
flat angles C4'-P-C4' energy: -79.340
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -86.606
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: 184
Temperature: 1.300000
Total energy: -1024.444022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.444022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.444022 (E_RNA)
where:
Base-Base interactions energy: -681.704
where: short stacking energy: -306.270
Base-Backbone interact. energy: -0.294
local terms energy: -342.445096
where:
bonds (distance) C4'-P energy: -74.956
bonds (distance) P-C4' energy: -90.292
flat angles C4'-P-C4' energy: -73.247
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -66.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -924.247389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.247389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.247389 (E_RNA)
where:
Base-Base interactions energy: -567.197
where: short stacking energy: -263.248
Base-Backbone interact. energy: 0.177
local terms energy: -357.226779
where:
bonds (distance) C4'-P energy: -96.162
bonds (distance) P-C4' energy: -94.229
flat angles C4'-P-C4' energy: -85.990
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -36.868
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: 185
Temperature: 0.900000
Total energy: -1927.055830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.055830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.055830 (E_RNA)
where:
Base-Base interactions energy: -1325.643
where: short stacking energy: -562.119
Base-Backbone interact. energy: -2.085
local terms energy: -599.328099
where:
bonds (distance) C4'-P energy: -111.763
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -119.390
flat angles P-C4'-P energy: -89.982
tors. eta vs tors. theta energy: -159.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1825.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.324983 (E_RNA)
where:
Base-Base interactions energy: -1258.779
where: short stacking energy: -535.714
Base-Backbone interact. energy: -2.640
local terms energy: -563.905694
where:
bonds (distance) C4'-P energy: -107.374
bonds (distance) P-C4' energy: -114.101
flat angles C4'-P-C4' energy: -114.511
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -152.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1796.945449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.945449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.945449 (E_RNA)
where:
Base-Base interactions energy: -1267.221
where: short stacking energy: -545.838
Base-Backbone interact. energy: -0.290
local terms energy: -529.434668
where:
bonds (distance) C4'-P energy: -104.320
bonds (distance) P-C4' energy: -86.087
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -66.585
tors. eta vs tors. theta energy: -149.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1723.946959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.946959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.946959 (E_RNA)
where:
Base-Base interactions energy: -1207.129
where: short stacking energy: -506.196
Base-Backbone interact. energy: -4.209
local terms energy: -512.609455
where:
bonds (distance) C4'-P energy: -84.990
bonds (distance) P-C4' energy: -100.315
flat angles C4'-P-C4' energy: -112.488
flat angles P-C4'-P energy: -69.701
tors. eta vs tors. theta energy: -145.115
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: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1670.427360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.427360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.427360 (E_RNA)
where:
Base-Base interactions energy: -1147.394
where: short stacking energy: -486.831
Base-Backbone interact. energy: -4.203
local terms energy: -518.830131
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -102.641
flat angles C4'-P-C4' energy: -108.801
flat angles P-C4'-P energy: -77.787
tors. eta vs tors. theta energy: -127.400
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1607.631079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.631079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.631079 (E_RNA)
where:
Base-Base interactions energy: -1094.833
where: short stacking energy: -429.486
Base-Backbone interact. energy: 2.438
local terms energy: -515.235501
where:
bonds (distance) C4'-P energy: -108.745
bonds (distance) P-C4' energy: -92.208
flat angles C4'-P-C4' energy: -114.261
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -117.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1368.744831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.744831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.744831 (E_RNA)
where:
Base-Base interactions energy: -938.388
where: short stacking energy: -408.048
Base-Backbone interact. energy: -0.379
local terms energy: -429.978209
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -56.618
tors. eta vs tors. theta energy: -103.664
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: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1261.432259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.432259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.432259 (E_RNA)
where:
Base-Base interactions energy: -848.040
where: short stacking energy: -366.960
Base-Backbone interact. energy: -0.083
local terms energy: -413.308859
where:
bonds (distance) C4'-P energy: -93.505
bonds (distance) P-C4' energy: -74.950
flat angles C4'-P-C4' energy: -94.010
flat angles P-C4'-P energy: -71.763
tors. eta vs tors. theta energy: -79.081
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1047.153221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.153221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.153221 (E_RNA)
where:
Base-Base interactions energy: -658.123
where: short stacking energy: -300.837
Base-Backbone interact. energy: 0.705
local terms energy: -389.735963
where:
bonds (distance) C4'-P energy: -92.696
bonds (distance) P-C4' energy: -95.083
flat angles C4'-P-C4' energy: -90.226
flat angles P-C4'-P energy: -58.066
tors. eta vs tors. theta energy: -53.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -865.029784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.029784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.029784 (E_RNA)
where:
Base-Base interactions energy: -537.955
where: short stacking energy: -242.922
Base-Backbone interact. energy: -1.784
local terms energy: -325.290885
where:
bonds (distance) C4'-P energy: -81.338
bonds (distance) P-C4' energy: -93.770
flat angles C4'-P-C4' energy: -79.977
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1949.004669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.004669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.004669 (E_RNA)
where:
Base-Base interactions energy: -1363.396
where: short stacking energy: -561.548
Base-Backbone interact. energy: -1.940
local terms energy: -583.668930
where:
bonds (distance) C4'-P energy: -103.641
bonds (distance) P-C4' energy: -115.246
flat angles C4'-P-C4' energy: -125.699
flat angles P-C4'-P energy: -88.520
tors. eta vs tors. theta energy: -150.563
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: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1814.713286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.713286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.713286 (E_RNA)
where:
Base-Base interactions energy: -1271.545
where: short stacking energy: -546.364
Base-Backbone interact. energy: -4.156
local terms energy: -539.012173
where:
bonds (distance) C4'-P energy: -96.621
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -124.441
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -142.314
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: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1803.116181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.116181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.116181 (E_RNA)
where:
Base-Base interactions energy: -1276.603
where: short stacking energy: -554.022
Base-Backbone interact. energy: -0.807
local terms energy: -525.706743
where:
bonds (distance) C4'-P energy: -99.835
bonds (distance) P-C4' energy: -90.333
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -75.642
tors. eta vs tors. theta energy: -144.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1697.153744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.153744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.153744 (E_RNA)
where:
Base-Base interactions energy: -1199.473
where: short stacking energy: -497.452
Base-Backbone interact. energy: -1.832
local terms energy: -495.849033
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -102.899
flat angles C4'-P-C4' energy: -97.723
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -137.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1605.460953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.460953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.460953 (E_RNA)
where:
Base-Base interactions energy: -1132.776
where: short stacking energy: -471.014
Base-Backbone interact. energy: -0.722
local terms energy: -471.963324
where:
bonds (distance) C4'-P energy: -91.137
bonds (distance) P-C4' energy: -92.212
flat angles C4'-P-C4' energy: -98.134
flat angles P-C4'-P energy: -66.470
tors. eta vs tors. theta energy: -124.011
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1568.619301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.619301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.619301 (E_RNA)
where:
Base-Base interactions energy: -1118.401
where: short stacking energy: -447.118
Base-Backbone interact. energy: -2.814
local terms energy: -447.404019
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -106.024
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -109.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1387.055388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.055388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.055388 (E_RNA)
where:
Base-Base interactions energy: -948.402
where: short stacking energy: -405.004
Base-Backbone interact. energy: -4.765
local terms energy: -433.888381
where:
bonds (distance) C4'-P energy: -96.908
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -101.151
flat angles P-C4'-P energy: -58.110
tors. eta vs tors. theta energy: -97.716
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1295.570514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.570514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.570514 (E_RNA)
where:
Base-Base interactions energy: -891.738
where: short stacking energy: -390.486
Base-Backbone interact. energy: -2.179
local terms energy: -401.652936
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -86.259
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: -92.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1055.187342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.187342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.187342 (E_RNA)
where:
Base-Base interactions energy: -681.180
where: short stacking energy: -301.018
Base-Backbone interact. energy: 3.178
local terms energy: -377.185597
where:
bonds (distance) C4'-P energy: -98.147
bonds (distance) P-C4' energy: -90.933
flat angles C4'-P-C4' energy: -84.068
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -57.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -880.799217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.799217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.799217 (E_RNA)
where:
Base-Base interactions energy: -538.340
where: short stacking energy: -275.164
Base-Backbone interact. energy: -1.584
local terms energy: -340.874541
where:
bonds (distance) C4'-P energy: -88.412
bonds (distance) P-C4' energy: -89.134
flat angles C4'-P-C4' energy: -72.672
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1924.319640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.319640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.319640 (E_RNA)
where:
Base-Base interactions energy: -1348.815
where: short stacking energy: -569.364
Base-Backbone interact. energy: -2.982
local terms energy: -572.522800
where:
bonds (distance) C4'-P energy: -98.897
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -122.672
flat angles P-C4'-P energy: -78.772
tors. eta vs tors. theta energy: -164.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1843.301382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.301382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.301382 (E_RNA)
where:
Base-Base interactions energy: -1272.185
where: short stacking energy: -545.882
Base-Backbone interact. energy: 0.782
local terms energy: -571.899075
where:
bonds (distance) C4'-P energy: -105.002
bonds (distance) P-C4' energy: -98.913
flat angles C4'-P-C4' energy: -132.322
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -153.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1741.091770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.091770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.091770 (E_RNA)
where:
Base-Base interactions energy: -1210.947
where: short stacking energy: -512.166
Base-Backbone interact. energy: 3.765
local terms energy: -533.909872
where:
bonds (distance) C4'-P energy: -101.354
bonds (distance) P-C4' energy: -103.836
flat angles C4'-P-C4' energy: -124.294
flat angles P-C4'-P energy: -66.966
tors. eta vs tors. theta energy: -137.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1724.026283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.026283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.026283 (E_RNA)
where:
Base-Base interactions energy: -1207.163
where: short stacking energy: -475.210
Base-Backbone interact. energy: 0.168
local terms energy: -517.030623
where:
bonds (distance) C4'-P energy: -109.268
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -113.909
flat angles P-C4'-P energy: -75.633
tors. eta vs tors. theta energy: -115.851
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1627.622104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.622104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.622104 (E_RNA)
where:
Base-Base interactions energy: -1138.610
where: short stacking energy: -490.267
Base-Backbone interact. energy: 0.156
local terms energy: -489.167663
where:
bonds (distance) C4'-P energy: -97.371
bonds (distance) P-C4' energy: -99.262
flat angles C4'-P-C4' energy: -108.826
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -115.846
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1561.174773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.174773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.174773 (E_RNA)
where:
Base-Base interactions energy: -1072.779
where: short stacking energy: -431.181
Base-Backbone interact. energy: -0.496
local terms energy: -487.899476
where:
bonds (distance) C4'-P energy: -92.954
bonds (distance) P-C4' energy: -89.804
flat angles C4'-P-C4' energy: -115.727
flat angles P-C4'-P energy: -69.703
tors. eta vs tors. theta energy: -119.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1363.856423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.856423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.856423 (E_RNA)
where:
Base-Base interactions energy: -924.950
where: short stacking energy: -379.636
Base-Backbone interact. energy: 1.672
local terms energy: -440.578412
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -99.575
flat angles C4'-P-C4' energy: -101.969
flat angles P-C4'-P energy: -63.350
tors. eta vs tors. theta energy: -79.788
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: 187
Temperature: 1.250000
Total energy: -1228.760593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.760593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.760593 (E_RNA)
where:
Base-Base interactions energy: -828.096
where: short stacking energy: -372.249
Base-Backbone interact. energy: -2.584
local terms energy: -398.080763
where:
bonds (distance) C4'-P energy: -83.786
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -106.686
flat angles P-C4'-P energy: -52.509
tors. eta vs tors. theta energy: -76.895
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: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1018.313956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.313956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.313956 (E_RNA)
where:
Base-Base interactions energy: -618.034
where: short stacking energy: -273.290
Base-Backbone interact. energy: -3.886
local terms energy: -396.393446
where:
bonds (distance) C4'-P energy: -92.263
bonds (distance) P-C4' energy: -87.631
flat angles C4'-P-C4' energy: -108.858
flat angles P-C4'-P energy: -60.948
tors. eta vs tors. theta energy: -46.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -834.676274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.676274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.676274 (E_RNA)
where:
Base-Base interactions energy: -503.356
where: short stacking energy: -247.279
Base-Backbone interact. energy: 5.147
local terms energy: -336.467468
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -104.359
flat angles C4'-P-C4' energy: -72.012
flat angles P-C4'-P energy: -58.683
tors. eta vs tors. theta energy: -17.805
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: 188
Temperature: 0.900000
Total energy: -1944.728044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.728044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.728044 (E_RNA)
where:
Base-Base interactions energy: -1361.566
where: short stacking energy: -598.460
Base-Backbone interact. energy: -3.597
local terms energy: -579.565022
where:
bonds (distance) C4'-P energy: -108.122
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -120.766
flat angles P-C4'-P energy: -91.534
tors. eta vs tors. theta energy: -164.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1819.736550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.736550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.736550 (E_RNA)
where:
Base-Base interactions energy: -1282.686
where: short stacking energy: -549.169
Base-Backbone interact. energy: -1.940
local terms energy: -535.110419
where:
bonds (distance) C4'-P energy: -108.924
bonds (distance) P-C4' energy: -91.166
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -152.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1728.231194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.231194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.231194 (E_RNA)
where:
Base-Base interactions energy: -1212.075
where: short stacking energy: -507.315
Base-Backbone interact. energy: -1.945
local terms energy: -514.211845
where:
bonds (distance) C4'-P energy: -101.420
bonds (distance) P-C4' energy: -98.716
flat angles C4'-P-C4' energy: -113.699
flat angles P-C4'-P energy: -71.353
tors. eta vs tors. theta energy: -129.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1699.594701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.594701 (E_RNA)
where:
Base-Base interactions energy: -1181.015
where: short stacking energy: -494.908
Base-Backbone interact. energy: -1.945
local terms energy: -516.634326
where:
bonds (distance) C4'-P energy: -98.030
bonds (distance) P-C4' energy: -105.992
flat angles C4'-P-C4' energy: -106.481
flat angles P-C4'-P energy: -82.458
tors. eta vs tors. theta energy: -123.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1629.673665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.673665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.673665 (E_RNA)
where:
Base-Base interactions energy: -1126.122
where: short stacking energy: -480.025
Base-Backbone interact. energy: 0.092
local terms energy: -503.643799
where:
bonds (distance) C4'-P energy: -103.704
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -115.358
flat angles P-C4'-P energy: -68.442
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: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1584.002225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.002225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.002225 (E_RNA)
where:
Base-Base interactions energy: -1111.342
where: short stacking energy: -456.422
Base-Backbone interact. energy: -2.767
local terms energy: -469.893125
where:
bonds (distance) C4'-P energy: -77.558
bonds (distance) P-C4' energy: -98.508
flat angles C4'-P-C4' energy: -107.952
flat angles P-C4'-P energy: -64.820
tors. eta vs tors. theta energy: -121.055
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: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1375.244252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.244252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.244252 (E_RNA)
where:
Base-Base interactions energy: -903.500
where: short stacking energy: -392.541
Base-Backbone interact. energy: 0.410
local terms energy: -472.154435
where:
bonds (distance) C4'-P energy: -86.575
bonds (distance) P-C4' energy: -91.781
flat angles C4'-P-C4' energy: -106.993
flat angles P-C4'-P energy: -80.088
tors. eta vs tors. theta energy: -106.716
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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1220.498004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.498004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.498004 (E_RNA)
where:
Base-Base interactions energy: -807.610
where: short stacking energy: -345.163
Base-Backbone interact. energy: 0.444
local terms energy: -413.332402
where:
bonds (distance) C4'-P energy: -88.386
bonds (distance) P-C4' energy: -83.406
flat angles C4'-P-C4' energy: -112.566
flat angles P-C4'-P energy: -56.512
tors. eta vs tors. theta energy: -72.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -869.656688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.656688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.656688 (E_RNA)
where:
Base-Base interactions energy: -552.530
where: short stacking energy: -277.940
Base-Backbone interact. energy: -1.874
local terms energy: -315.252437
where:
bonds (distance) C4'-P energy: -72.432
bonds (distance) P-C4' energy: -84.271
flat angles C4'-P-C4' energy: -80.975
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -35.413
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: 188
Temperature: 1.350000
Total energy: -935.259693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.259693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.259693 (E_RNA)
where:
Base-Base interactions energy: -582.553
where: short stacking energy: -259.503
Base-Backbone interact. energy: -0.841
local terms energy: -351.865395
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -79.181
flat angles C4'-P-C4' energy: -99.398
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1924.711624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.711624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.711624 (E_RNA)
where:
Base-Base interactions energy: -1331.763
where: short stacking energy: -575.067
Base-Backbone interact. energy: -2.894
local terms energy: -590.055096
where:
bonds (distance) C4'-P energy: -109.852
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -122.836
flat angles P-C4'-P energy: -84.457
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: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1824.465008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.465008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.465008 (E_RNA)
where:
Base-Base interactions energy: -1262.902
where: short stacking energy: -557.878
Base-Backbone interact. energy: -3.330
local terms energy: -558.232542
where:
bonds (distance) C4'-P energy: -106.567
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -116.988
flat angles P-C4'-P energy: -86.540
tors. eta vs tors. theta energy: -150.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1736.055976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.055976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.055976 (E_RNA)
where:
Base-Base interactions energy: -1212.160
where: short stacking energy: -516.129
Base-Backbone interact. energy: -0.646
local terms energy: -523.249275
where:
bonds (distance) C4'-P energy: -97.108
bonds (distance) P-C4' energy: -107.241
flat angles C4'-P-C4' energy: -116.686
flat angles P-C4'-P energy: -72.313
tors. eta vs tors. theta energy: -129.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1704.512832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.512832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.512832 (E_RNA)
where:
Base-Base interactions energy: -1201.079
where: short stacking energy: -489.852
Base-Backbone interact. energy: -2.111
local terms energy: -501.322479
where:
bonds (distance) C4'-P energy: -90.555
bonds (distance) P-C4' energy: -101.621
flat angles C4'-P-C4' energy: -120.788
flat angles P-C4'-P energy: -71.835
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1647.269431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.269431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.269431 (E_RNA)
where:
Base-Base interactions energy: -1141.754
where: short stacking energy: -480.402
Base-Backbone interact. energy: -0.958
local terms energy: -504.557508
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -112.927
flat angles P-C4'-P energy: -74.667
tors. eta vs tors. theta energy: -126.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1589.477090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.477090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.477090 (E_RNA)
where:
Base-Base interactions energy: -1105.824
where: short stacking energy: -457.972
Base-Backbone interact. energy: -3.862
local terms energy: -479.791195
where:
bonds (distance) C4'-P energy: -91.307
bonds (distance) P-C4' energy: -90.039
flat angles C4'-P-C4' energy: -104.143
flat angles P-C4'-P energy: -77.896
tors. eta vs tors. theta energy: -116.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1411.435476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.435476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.435476 (E_RNA)
where:
Base-Base interactions energy: -977.656
where: short stacking energy: -407.708
Base-Backbone interact. energy: -2.505
local terms energy: -431.273731
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -80.742
flat angles C4'-P-C4' energy: -96.240
flat angles P-C4'-P energy: -56.690
tors. eta vs tors. theta energy: -99.235
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: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1207.554473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.554473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.554473 (E_RNA)
where:
Base-Base interactions energy: -798.752
where: short stacking energy: -335.833
Base-Backbone interact. energy: -2.698
local terms energy: -406.104538
where:
bonds (distance) C4'-P energy: -97.124
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -90.664
flat angles P-C4'-P energy: -50.784
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: 189
Temperature: 1.300000
Total energy: -916.891786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.891786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.891786 (E_RNA)
where:
Base-Base interactions energy: -552.287
where: short stacking energy: -282.734
Base-Backbone interact. energy: -0.678
local terms energy: -363.925942
where:
bonds (distance) C4'-P energy: -82.830
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -93.288
flat angles P-C4'-P energy: -56.977
tors. eta vs tors. theta energy: -59.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -978.157019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.157019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.157019 (E_RNA)
where:
Base-Base interactions energy: -617.812
where: short stacking energy: -288.556
Base-Backbone interact. energy: 2.344
local terms energy: -362.688771
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -84.218
flat angles C4'-P-C4' energy: -99.371
flat angles P-C4'-P energy: -54.774
tors. eta vs tors. theta energy: -39.550
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: 190
Temperature: 0.900000
Total energy: -1927.529191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.529191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.529191 (E_RNA)
where:
Base-Base interactions energy: -1348.011
where: short stacking energy: -572.973
Base-Backbone interact. energy: -5.248
local terms energy: -574.270740
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -109.932
flat angles C4'-P-C4' energy: -117.986
flat angles P-C4'-P energy: -77.667
tors. eta vs tors. theta energy: -156.731
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: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1830.400819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.400819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.400819 (E_RNA)
where:
Base-Base interactions energy: -1277.545
where: short stacking energy: -539.993
Base-Backbone interact. energy: -2.878
local terms energy: -549.977411
where:
bonds (distance) C4'-P energy: -104.738
bonds (distance) P-C4' energy: -104.101
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -76.682
tors. eta vs tors. theta energy: -145.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1726.866290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.866290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.866290 (E_RNA)
where:
Base-Base interactions energy: -1199.785
where: short stacking energy: -517.882
Base-Backbone interact. energy: 1.126
local terms energy: -528.206922
where:
bonds (distance) C4'-P energy: -104.097
bonds (distance) P-C4' energy: -85.516
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -137.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1668.525050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.525050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.525050 (E_RNA)
where:
Base-Base interactions energy: -1158.404
where: short stacking energy: -479.121
Base-Backbone interact. energy: -0.617
local terms energy: -509.503162
where:
bonds (distance) C4'-P energy: -98.478
bonds (distance) P-C4' energy: -105.608
flat angles C4'-P-C4' energy: -116.218
flat angles P-C4'-P energy: -69.036
tors. eta vs tors. theta energy: -120.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1594.955980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.955980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.955980 (E_RNA)
where:
Base-Base interactions energy: -1121.187
where: short stacking energy: -453.832
Base-Backbone interact. energy: -2.996
local terms energy: -470.772241
where:
bonds (distance) C4'-P energy: -96.744
bonds (distance) P-C4' energy: -91.857
flat angles C4'-P-C4' energy: -101.525
flat angles P-C4'-P energy: -69.286
tors. eta vs tors. theta energy: -111.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1555.782025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.782025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.782025 (E_RNA)
where:
Base-Base interactions energy: -1094.996
where: short stacking energy: -455.759
Base-Backbone interact. energy: 3.035
local terms energy: -463.821050
where:
bonds (distance) C4'-P energy: -86.528
bonds (distance) P-C4' energy: -95.030
flat angles C4'-P-C4' energy: -99.304
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -115.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1424.355869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.355869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.355869 (E_RNA)
where:
Base-Base interactions energy: -984.236
where: short stacking energy: -433.141
Base-Backbone interact. energy: 2.467
local terms energy: -442.587591
where:
bonds (distance) C4'-P energy: -80.199
bonds (distance) P-C4' energy: -85.391
flat angles C4'-P-C4' energy: -100.873
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -111.194
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: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1248.110039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.110039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.110039 (E_RNA)
where:
Base-Base interactions energy: -834.109
where: short stacking energy: -385.104
Base-Backbone interact. energy: 1.238
local terms energy: -415.239191
where:
bonds (distance) C4'-P energy: -100.107
bonds (distance) P-C4' energy: -89.662
flat angles C4'-P-C4' energy: -84.788
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -81.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1018.817245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.817245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.817245 (E_RNA)
where:
Base-Base interactions energy: -665.523
where: short stacking energy: -309.552
Base-Backbone interact. energy: -0.106
local terms energy: -353.187772
where:
bonds (distance) C4'-P energy: -87.493
bonds (distance) P-C4' energy: -84.654
flat angles C4'-P-C4' energy: -78.561
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -47.676
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -809.615166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.615166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.615166 (E_RNA)
where:
Base-Base interactions energy: -496.816
where: short stacking energy: -234.048
Base-Backbone interact. energy: 2.416
local terms energy: -315.215019
where:
bonds (distance) C4'-P energy: -93.243
bonds (distance) P-C4' energy: -92.780
flat angles C4'-P-C4' energy: -75.730
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1917.605103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.605103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.605103 (E_RNA)
where:
Base-Base interactions energy: -1337.769
where: short stacking energy: -559.913
Base-Backbone interact. energy: -1.419
local terms energy: -578.416816
where:
bonds (distance) C4'-P energy: -107.388
bonds (distance) P-C4' energy: -118.575
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -76.309
tors. eta vs tors. theta energy: -156.803
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: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1854.366028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.366028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.366028 (E_RNA)
where:
Base-Base interactions energy: -1297.360
where: short stacking energy: -565.781
Base-Backbone interact. energy: -1.218
local terms energy: -555.788044
where:
bonds (distance) C4'-P energy: -104.483
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -120.245
flat angles P-C4'-P energy: -76.283
tors. eta vs tors. theta energy: -150.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1768.286307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.286307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.286307 (E_RNA)
where:
Base-Base interactions energy: -1227.011
where: short stacking energy: -508.180
Base-Backbone interact. energy: 0.495
local terms energy: -541.770104
where:
bonds (distance) C4'-P energy: -103.737
bonds (distance) P-C4' energy: -109.382
flat angles C4'-P-C4' energy: -116.834
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -141.555
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: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1678.316449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.316449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.316449 (E_RNA)
where:
Base-Base interactions energy: -1161.354
where: short stacking energy: -478.776
Base-Backbone interact. energy: -3.159
local terms energy: -513.803976
where:
bonds (distance) C4'-P energy: -96.773
bonds (distance) P-C4' energy: -97.952
flat angles C4'-P-C4' energy: -103.999
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -131.067
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1634.309369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.309369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.309369 (E_RNA)
where:
Base-Base interactions energy: -1146.387
where: short stacking energy: -486.593
Base-Backbone interact. energy: -0.962
local terms energy: -486.961201
where:
bonds (distance) C4'-P energy: -82.175
bonds (distance) P-C4' energy: -92.831
flat angles C4'-P-C4' energy: -109.240
flat angles P-C4'-P energy: -75.047
tors. eta vs tors. theta energy: -127.668
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: 191
Temperature: 1.150000
Total energy: -1605.874122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.874122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.874122 (E_RNA)
where:
Base-Base interactions energy: -1135.987
where: short stacking energy: -492.894
Base-Backbone interact. energy: -2.843
local terms energy: -467.044048
where:
bonds (distance) C4'-P energy: -91.920
bonds (distance) P-C4' energy: -88.750
flat angles C4'-P-C4' energy: -103.345
flat angles P-C4'-P energy: -56.338
tors. eta vs tors. theta energy: -126.691
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1418.345987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.345987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.345987 (E_RNA)
where:
Base-Base interactions energy: -955.162
where: short stacking energy: -410.915
Base-Backbone interact. energy: 1.785
local terms energy: -464.969604
where:
bonds (distance) C4'-P energy: -92.387
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -104.079
flat angles P-C4'-P energy: -66.356
tors. eta vs tors. theta energy: -99.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1219.789681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.789681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.789681 (E_RNA)
where:
Base-Base interactions energy: -804.388
where: short stacking energy: -348.329
Base-Backbone interact. energy: -2.940
local terms energy: -412.461514
where:
bonds (distance) C4'-P energy: -96.995
bonds (distance) P-C4' energy: -83.937
flat angles C4'-P-C4' energy: -91.712
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -80.711
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: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1011.786725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.786725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.786725 (E_RNA)
where:
Base-Base interactions energy: -654.226
where: short stacking energy: -280.104
Base-Backbone interact. energy: -0.884
local terms energy: -356.676800
where:
bonds (distance) C4'-P energy: -94.949
bonds (distance) P-C4' energy: -81.009
flat angles C4'-P-C4' energy: -90.137
flat angles P-C4'-P energy: -43.583
tors. eta vs tors. theta energy: -46.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -871.431825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.431825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.431825 (E_RNA)
where:
Base-Base interactions energy: -523.434
where: short stacking energy: -258.847
Base-Backbone interact. energy: -0.429
local terms energy: -347.569146
where:
bonds (distance) C4'-P energy: -79.465
bonds (distance) P-C4' energy: -80.204
flat angles C4'-P-C4' energy: -85.230
flat angles P-C4'-P energy: -60.945
tors. eta vs tors. theta energy: -41.725
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1891.466484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.466484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.466484 (E_RNA)
where:
Base-Base interactions energy: -1299.925
where: short stacking energy: -568.563
Base-Backbone interact. energy: -3.462
local terms energy: -588.080023
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -106.706
flat angles C4'-P-C4' energy: -129.073
flat angles P-C4'-P energy: -81.064
tors. eta vs tors. theta energy: -160.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1885.611927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.611927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.611927 (E_RNA)
where:
Base-Base interactions energy: -1295.372
where: short stacking energy: -551.951
Base-Backbone interact. energy: -2.393
local terms energy: -587.847448
where:
bonds (distance) C4'-P energy: -115.151
bonds (distance) P-C4' energy: -107.752
flat angles C4'-P-C4' energy: -128.187
flat angles P-C4'-P energy: -82.461
tors. eta vs tors. theta energy: -154.296
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: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1753.612992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.612992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.612992 (E_RNA)
where:
Base-Base interactions energy: -1218.909
where: short stacking energy: -499.330
Base-Backbone interact. energy: -0.615
local terms energy: -534.088370
where:
bonds (distance) C4'-P energy: -100.440
bonds (distance) P-C4' energy: -98.532
flat angles C4'-P-C4' energy: -119.607
flat angles P-C4'-P energy: -71.336
tors. eta vs tors. theta energy: -144.174
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: 192
Temperature: 1.050000
Total energy: -1688.447308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.447308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.447308 (E_RNA)
where:
Base-Base interactions energy: -1182.175
where: short stacking energy: -472.968
Base-Backbone interact. energy: -3.234
local terms energy: -503.038576
where:
bonds (distance) C4'-P energy: -93.888
bonds (distance) P-C4' energy: -98.168
flat angles C4'-P-C4' energy: -109.445
flat angles P-C4'-P energy: -77.983
tors. eta vs tors. theta energy: -123.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1683.610480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.610480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.610480 (E_RNA)
where:
Base-Base interactions energy: -1146.548
where: short stacking energy: -482.755
Base-Backbone interact. energy: -1.426
local terms energy: -535.636434
where:
bonds (distance) C4'-P energy: -90.697
bonds (distance) P-C4' energy: -111.696
flat angles C4'-P-C4' energy: -115.157
flat angles P-C4'-P energy: -90.234
tors. eta vs tors. theta energy: -127.853
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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1568.243284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.243284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.243284 (E_RNA)
where:
Base-Base interactions energy: -1094.098
where: short stacking energy: -435.641
Base-Backbone interact. energy: -2.782
local terms energy: -471.362404
where:
bonds (distance) C4'-P energy: -84.644
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -105.575
flat angles P-C4'-P energy: -77.449
tors. eta vs tors. theta energy: -99.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1378.291293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.291293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.291293 (E_RNA)
where:
Base-Base interactions energy: -935.752
where: short stacking energy: -407.078
Base-Backbone interact. energy: -4.496
local terms energy: -438.043664
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -95.774
flat angles C4'-P-C4' energy: -110.367
flat angles P-C4'-P energy: -45.367
tors. eta vs tors. theta energy: -99.964
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: 192
Temperature: 1.250000
Total energy: -1195.894972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.894972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.894972 (E_RNA)
where:
Base-Base interactions energy: -801.452
where: short stacking energy: -345.564
Base-Backbone interact. energy: -2.041
local terms energy: -392.402674
where:
bonds (distance) C4'-P energy: -81.971
bonds (distance) P-C4' energy: -90.173
flat angles C4'-P-C4' energy: -94.976
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -63.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -967.935629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.935629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.935629 (E_RNA)
where:
Base-Base interactions energy: -610.723
where: short stacking energy: -275.402
Base-Backbone interact. energy: 2.294
local terms energy: -359.507505
where:
bonds (distance) C4'-P energy: -90.193
bonds (distance) P-C4' energy: -99.045
flat angles C4'-P-C4' energy: -84.286
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -38.344
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: 192
Temperature: 1.350000
Total energy: -877.585680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.585680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.585680 (E_RNA)
where:
Base-Base interactions energy: -510.929
where: short stacking energy: -256.853
Base-Backbone interact. energy: 0.132
local terms energy: -366.788636
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -97.554
flat angles P-C4'-P energy: -54.748
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: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1892.362987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.362987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.362987 (E_RNA)
where:
Base-Base interactions energy: -1305.730
where: short stacking energy: -572.542
Base-Backbone interact. energy: -3.196
local terms energy: -583.436428
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -101.741
flat angles C4'-P-C4' energy: -129.129
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -157.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1886.513871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.513871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.513871 (E_RNA)
where:
Base-Base interactions energy: -1329.182
where: short stacking energy: -551.067
Base-Backbone interact. energy: -3.419
local terms energy: -553.912580
where:
bonds (distance) C4'-P energy: -94.959
bonds (distance) P-C4' energy: -105.746
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -81.256
tors. eta vs tors. theta energy: -154.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1777.541709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.541709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.541709 (E_RNA)
where:
Base-Base interactions energy: -1225.462
where: short stacking energy: -508.361
Base-Backbone interact. energy: -2.333
local terms energy: -549.745795
where:
bonds (distance) C4'-P energy: -111.131
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -120.919
flat angles P-C4'-P energy: -77.377
tors. eta vs tors. theta energy: -138.926
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: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1708.192793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.192793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.192793 (E_RNA)
where:
Base-Base interactions energy: -1177.815
where: short stacking energy: -512.783
Base-Backbone interact. energy: -3.074
local terms energy: -527.303534
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -112.267
flat angles C4'-P-C4' energy: -117.371
flat angles P-C4'-P energy: -71.424
tors. eta vs tors. theta energy: -136.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1667.701926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.701926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.701926 (E_RNA)
where:
Base-Base interactions energy: -1162.670
where: short stacking energy: -485.107
Base-Backbone interact. energy: 0.278
local terms energy: -505.309843
where:
bonds (distance) C4'-P energy: -81.997
bonds (distance) P-C4' energy: -90.896
flat angles C4'-P-C4' energy: -121.254
flat angles P-C4'-P energy: -88.832
tors. eta vs tors. theta energy: -122.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1574.226459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.226459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.226459 (E_RNA)
where:
Base-Base interactions energy: -1115.354
where: short stacking energy: -456.605
Base-Backbone interact. energy: -0.041
local terms energy: -458.831697
where:
bonds (distance) C4'-P energy: -82.770
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -99.788
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -114.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1367.702460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.702460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.702460 (E_RNA)
where:
Base-Base interactions energy: -925.388
where: short stacking energy: -400.555
Base-Backbone interact. energy: -3.315
local terms energy: -439.000353
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -89.250
flat angles C4'-P-C4' energy: -109.239
flat angles P-C4'-P energy: -56.577
tors. eta vs tors. theta energy: -100.654
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: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1236.951499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.951499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.951499 (E_RNA)
where:
Base-Base interactions energy: -818.238
where: short stacking energy: -354.584
Base-Backbone interact. energy: 2.886
local terms energy: -421.600173
where:
bonds (distance) C4'-P energy: -78.082
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -106.029
flat angles P-C4'-P energy: -75.646
tors. eta vs tors. theta energy: -78.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1017.992160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.992160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.992160 (E_RNA)
where:
Base-Base interactions energy: -650.147
where: short stacking energy: -295.152
Base-Backbone interact. energy: -4.756
local terms energy: -363.088968
where:
bonds (distance) C4'-P energy: -83.143
bonds (distance) P-C4' energy: -85.977
flat angles C4'-P-C4' energy: -94.448
flat angles P-C4'-P energy: -51.125
tors. eta vs tors. theta energy: -48.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -861.699823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.699823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.699823 (E_RNA)
where:
Base-Base interactions energy: -508.555
where: short stacking energy: -235.159
Base-Backbone interact. energy: 2.142
local terms energy: -355.286522
where:
bonds (distance) C4'-P energy: -91.346
bonds (distance) P-C4' energy: -95.875
flat angles C4'-P-C4' energy: -92.417
flat angles P-C4'-P energy: -51.604
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1887.666027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.666027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.666027 (E_RNA)
where:
Base-Base interactions energy: -1316.155
where: short stacking energy: -579.952
Base-Backbone interact. energy: 0.216
local terms energy: -571.727451
where:
bonds (distance) C4'-P energy: -100.810
bonds (distance) P-C4' energy: -103.299
flat angles C4'-P-C4' energy: -124.405
flat angles P-C4'-P energy: -84.689
tors. eta vs tors. theta energy: -158.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1870.962647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.962647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.962647 (E_RNA)
where:
Base-Base interactions energy: -1325.176
where: short stacking energy: -555.959
Base-Backbone interact. energy: -0.021
local terms energy: -545.765856
where:
bonds (distance) C4'-P energy: -88.635
bonds (distance) P-C4' energy: -104.786
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -160.277
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: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1730.214543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.214543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.214543 (E_RNA)
where:
Base-Base interactions energy: -1186.919
where: short stacking energy: -529.958
Base-Backbone interact. energy: -1.440
local terms energy: -541.855366
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -101.195
flat angles C4'-P-C4' energy: -118.217
flat angles P-C4'-P energy: -78.835
tors. eta vs tors. theta energy: -144.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1732.642266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.642266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.642266 (E_RNA)
where:
Base-Base interactions energy: -1229.479
where: short stacking energy: -519.915
Base-Backbone interact. energy: -0.216
local terms energy: -502.947407
where:
bonds (distance) C4'-P energy: -87.225
bonds (distance) P-C4' energy: -92.693
flat angles C4'-P-C4' energy: -119.037
flat angles P-C4'-P energy: -65.494
tors. eta vs tors. theta energy: -138.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1652.786798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.786798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.786798 (E_RNA)
where:
Base-Base interactions energy: -1165.964
where: short stacking energy: -481.116
Base-Backbone interact. energy: -0.342
local terms energy: -486.480858
where:
bonds (distance) C4'-P energy: -92.414
bonds (distance) P-C4' energy: -93.172
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -60.868
tors. eta vs tors. theta energy: -134.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1604.086152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.086152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.086152 (E_RNA)
where:
Base-Base interactions energy: -1129.423
where: short stacking energy: -462.368
Base-Backbone interact. energy: 4.287
local terms energy: -478.950493
where:
bonds (distance) C4'-P energy: -92.808
bonds (distance) P-C4' energy: -94.733
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -67.402
tors. eta vs tors. theta energy: -122.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1389.180489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.180489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.180489 (E_RNA)
where:
Base-Base interactions energy: -940.716
where: short stacking energy: -408.418
Base-Backbone interact. energy: -3.822
local terms energy: -444.642290
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -102.359
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -103.162
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: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1258.772572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.772572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.772572 (E_RNA)
where:
Base-Base interactions energy: -830.471
where: short stacking energy: -376.783
Base-Backbone interact. energy: -1.628
local terms energy: -426.673571
where:
bonds (distance) C4'-P energy: -86.228
bonds (distance) P-C4' energy: -92.246
flat angles C4'-P-C4' energy: -96.688
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -87.889
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: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1012.287294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.287294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.287294 (E_RNA)
where:
Base-Base interactions energy: -675.081
where: short stacking energy: -309.606
Base-Backbone interact. energy: -3.350
local terms energy: -333.856179
where:
bonds (distance) C4'-P energy: -77.418
bonds (distance) P-C4' energy: -88.136
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -51.718
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: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -892.881827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.881827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.881827 (E_RNA)
where:
Base-Base interactions energy: -543.636
where: short stacking energy: -250.395
Base-Backbone interact. energy: 2.016
local terms energy: -351.262204
where:
bonds (distance) C4'-P energy: -93.056
bonds (distance) P-C4' energy: -88.921
flat angles C4'-P-C4' energy: -78.057
flat angles P-C4'-P energy: -59.606
tors. eta vs tors. theta energy: -31.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1894.383098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.383098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.383098 (E_RNA)
where:
Base-Base interactions energy: -1303.494
where: short stacking energy: -559.311
Base-Backbone interact. energy: -0.502
local terms energy: -590.386658
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -115.190
flat angles C4'-P-C4' energy: -131.057
flat angles P-C4'-P energy: -84.345
tors. eta vs tors. theta energy: -154.474
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1863.047640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.047640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.047640 (E_RNA)
where:
Base-Base interactions energy: -1328.896
where: short stacking energy: -551.597
Base-Backbone interact. energy: -2.160
local terms energy: -531.992044
where:
bonds (distance) C4'-P energy: -102.162
bonds (distance) P-C4' energy: -88.884
flat angles C4'-P-C4' energy: -111.090
flat angles P-C4'-P energy: -83.616
tors. eta vs tors. theta energy: -146.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1765.462586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.462586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.462586 (E_RNA)
where:
Base-Base interactions energy: -1201.134
where: short stacking energy: -510.986
Base-Backbone interact. energy: -1.262
local terms energy: -563.066219
where:
bonds (distance) C4'-P energy: -93.177
bonds (distance) P-C4' energy: -112.545
flat angles C4'-P-C4' energy: -123.929
flat angles P-C4'-P energy: -86.702
tors. eta vs tors. theta energy: -146.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1677.788659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.788659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.788659 (E_RNA)
where:
Base-Base interactions energy: -1169.536
where: short stacking energy: -493.737
Base-Backbone interact. energy: 1.013
local terms energy: -509.265774
where:
bonds (distance) C4'-P energy: -109.065
bonds (distance) P-C4' energy: -97.344
flat angles C4'-P-C4' energy: -110.051
flat angles P-C4'-P energy: -65.942
tors. eta vs tors. theta energy: -126.863
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: 195
Temperature: 1.100000
Total energy: -1680.695999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.695999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.695999 (E_RNA)
where:
Base-Base interactions energy: -1179.948
where: short stacking energy: -500.838
Base-Backbone interact. energy: -2.300
local terms energy: -498.447861
where:
bonds (distance) C4'-P energy: -85.354
bonds (distance) P-C4' energy: -93.052
flat angles C4'-P-C4' energy: -112.863
flat angles P-C4'-P energy: -72.437
tors. eta vs tors. theta energy: -134.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1618.400566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.400566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.400566 (E_RNA)
where:
Base-Base interactions energy: -1150.101
where: short stacking energy: -451.767
Base-Backbone interact. energy: -3.212
local terms energy: -465.087602
where:
bonds (distance) C4'-P energy: -88.974
bonds (distance) P-C4' energy: -102.025
flat angles C4'-P-C4' energy: -90.956
flat angles P-C4'-P energy: -67.560
tors. eta vs tors. theta energy: -115.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1375.368705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.368705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.368705 (E_RNA)
where:
Base-Base interactions energy: -939.625
where: short stacking energy: -380.640
Base-Backbone interact. energy: -5.324
local terms energy: -430.420122
where:
bonds (distance) C4'-P energy: -84.860
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -97.452
flat angles P-C4'-P energy: -67.601
tors. eta vs tors. theta energy: -87.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1284.732466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.732466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.732466 (E_RNA)
where:
Base-Base interactions energy: -858.781
where: short stacking energy: -382.747
Base-Backbone interact. energy: -0.963
local terms energy: -424.988017
where:
bonds (distance) C4'-P energy: -87.264
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -65.641
tors. eta vs tors. theta energy: -77.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -984.830034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.830034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.830034 (E_RNA)
where:
Base-Base interactions energy: -649.635
where: short stacking energy: -300.713
Base-Backbone interact. energy: -0.893
local terms energy: -334.302497
where:
bonds (distance) C4'-P energy: -83.131
bonds (distance) P-C4' energy: -83.639
flat angles C4'-P-C4' energy: -75.085
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: -43.217
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: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -796.180559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.180559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.180559 (E_RNA)
where:
Base-Base interactions energy: -482.270
where: short stacking energy: -229.690
Base-Backbone interact. energy: 9.283
local terms energy: -323.193393
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -88.238
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -5.969
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: 196
Temperature: 0.900000
Total energy: -1922.440564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.440564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.440564 (E_RNA)
where:
Base-Base interactions energy: -1324.839
where: short stacking energy: -560.553
Base-Backbone interact. energy: -2.446
local terms energy: -595.155187
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -120.793
flat angles P-C4'-P energy: -88.061
tors. eta vs tors. theta energy: -159.998
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1866.600368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.600368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.600368 (E_RNA)
where:
Base-Base interactions energy: -1297.634
where: short stacking energy: -544.072
Base-Backbone interact. energy: -2.473
local terms energy: -566.493677
where:
bonds (distance) C4'-P energy: -103.912
bonds (distance) P-C4' energy: -102.095
flat angles C4'-P-C4' energy: -118.336
flat angles P-C4'-P energy: -74.037
tors. eta vs tors. theta energy: -168.114
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1758.686048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.686048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.686048 (E_RNA)
where:
Base-Base interactions energy: -1190.710
where: short stacking energy: -516.955
Base-Backbone interact. energy: -0.653
local terms energy: -567.322812
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -131.987
flat angles P-C4'-P energy: -82.357
tors. eta vs tors. theta energy: -140.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1687.072052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.072052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.072052 (E_RNA)
where:
Base-Base interactions energy: -1184.964
where: short stacking energy: -494.711
Base-Backbone interact. energy: -2.615
local terms energy: -499.492838
where:
bonds (distance) C4'-P energy: -103.974
bonds (distance) P-C4' energy: -78.950
flat angles C4'-P-C4' energy: -114.851
flat angles P-C4'-P energy: -84.136
tors. eta vs tors. theta energy: -117.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1674.084839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.084839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.084839 (E_RNA)
where:
Base-Base interactions energy: -1156.798
where: short stacking energy: -470.879
Base-Backbone interact. energy: -1.633
local terms energy: -515.653139
where:
bonds (distance) C4'-P energy: -87.234
bonds (distance) P-C4' energy: -106.531
flat angles C4'-P-C4' energy: -117.885
flat angles P-C4'-P energy: -65.881
tors. eta vs tors. theta energy: -138.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1608.461517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.461517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.461517 (E_RNA)
where:
Base-Base interactions energy: -1143.617
where: short stacking energy: -448.394
Base-Backbone interact. energy: -2.115
local terms energy: -462.729690
where:
bonds (distance) C4'-P energy: -88.877
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -104.223
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -111.608
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: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1350.845592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.845592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.845592 (E_RNA)
where:
Base-Base interactions energy: -904.380
where: short stacking energy: -377.674
Base-Backbone interact. energy: -1.970
local terms energy: -444.495252
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -95.081
flat angles P-C4'-P energy: -65.323
tors. eta vs tors. theta energy: -95.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1238.935117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.935117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.935117 (E_RNA)
where:
Base-Base interactions energy: -830.128
where: short stacking energy: -353.506
Base-Backbone interact. energy: -2.689
local terms energy: -406.118689
where:
bonds (distance) C4'-P energy: -87.908
bonds (distance) P-C4' energy: -80.678
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -60.917
tors. eta vs tors. theta energy: -74.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -971.691083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.691083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.691083 (E_RNA)
where:
Base-Base interactions energy: -619.346
where: short stacking energy: -283.683
Base-Backbone interact. energy: 6.486
local terms energy: -358.830905
where:
bonds (distance) C4'-P energy: -73.499
bonds (distance) P-C4' energy: -82.995
flat angles C4'-P-C4' energy: -87.703
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -43.118
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: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -795.817677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.817677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.817677 (E_RNA)
where:
Base-Base interactions energy: -498.770
where: short stacking energy: -222.935
Base-Backbone interact. energy: 2.733
local terms energy: -299.780181
where:
bonds (distance) C4'-P energy: -89.999
bonds (distance) P-C4' energy: -91.618
flat angles C4'-P-C4' energy: -73.941
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -4.542
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: 197
Temperature: 0.900000
Total energy: -1929.838160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.838160 (E_RNA)
where:
Base-Base interactions energy: -1353.590
where: short stacking energy: -585.788
Base-Backbone interact. energy: -3.868
local terms energy: -572.380252
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -108.023
flat angles C4'-P-C4' energy: -121.833
flat angles P-C4'-P energy: -84.676
tors. eta vs tors. theta energy: -160.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1833.588960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.588960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.588960 (E_RNA)
where:
Base-Base interactions energy: -1280.057
where: short stacking energy: -545.933
Base-Backbone interact. energy: -4.334
local terms energy: -549.197814
where:
bonds (distance) C4'-P energy: -87.373
bonds (distance) P-C4' energy: -107.494
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -74.288
tors. eta vs tors. theta energy: -157.624
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: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1753.860523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.860523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.860523 (E_RNA)
where:
Base-Base interactions energy: -1209.957
where: short stacking energy: -508.993
Base-Backbone interact. energy: -4.426
local terms energy: -539.477991
where:
bonds (distance) C4'-P energy: -90.517
bonds (distance) P-C4' energy: -96.815
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -89.116
tors. eta vs tors. theta energy: -139.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1710.628536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.628536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.628536 (E_RNA)
where:
Base-Base interactions energy: -1193.294
where: short stacking energy: -513.199
Base-Backbone interact. energy: -0.086
local terms energy: -517.248497
where:
bonds (distance) C4'-P energy: -102.407
bonds (distance) P-C4' energy: -94.322
flat angles C4'-P-C4' energy: -116.489
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -137.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1646.099468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.099468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.099468 (E_RNA)
where:
Base-Base interactions energy: -1134.852
where: short stacking energy: -478.263
Base-Backbone interact. energy: -3.896
local terms energy: -507.351113
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -104.690
flat angles C4'-P-C4' energy: -104.858
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -126.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1611.255954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.255954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.255954 (E_RNA)
where:
Base-Base interactions energy: -1147.856
where: short stacking energy: -458.276
Base-Backbone interact. energy: -3.350
local terms energy: -460.050248
where:
bonds (distance) C4'-P energy: -75.535
bonds (distance) P-C4' energy: -84.710
flat angles C4'-P-C4' energy: -112.174
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -119.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1343.423436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.423436 (E_RNA)
where:
Base-Base interactions energy: -915.382
where: short stacking energy: -379.247
Base-Backbone interact. energy: 0.121
local terms energy: -428.162574
where:
bonds (distance) C4'-P energy: -86.053
bonds (distance) P-C4' energy: -88.501
flat angles C4'-P-C4' energy: -106.247
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -83.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1283.262782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.262782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.262782 (E_RNA)
where:
Base-Base interactions energy: -870.839
where: short stacking energy: -396.424
Base-Backbone interact. energy: 1.485
local terms energy: -413.908906
where:
bonds (distance) C4'-P energy: -81.240
bonds (distance) P-C4' energy: -80.109
flat angles C4'-P-C4' energy: -94.435
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -92.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -989.722931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.722931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.722931 (E_RNA)
where:
Base-Base interactions energy: -656.687
where: short stacking energy: -299.012
Base-Backbone interact. energy: 11.517
local terms energy: -344.553018
where:
bonds (distance) C4'-P energy: -85.018
bonds (distance) P-C4' energy: -78.783
flat angles C4'-P-C4' energy: -81.826
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -39.475
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: 197
Temperature: 1.350000
Total energy: -808.323012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.323012 (E_RNA)
where:
Base-Base interactions energy: -479.419
where: short stacking energy: -221.606
Base-Backbone interact. energy: 1.536
local terms energy: -330.439777
where:
bonds (distance) C4'-P energy: -90.106
bonds (distance) P-C4' energy: -75.050
flat angles C4'-P-C4' energy: -83.369
flat angles P-C4'-P energy: -54.356
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1931.944198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.944198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.944198 (E_RNA)
where:
Base-Base interactions energy: -1335.942
where: short stacking energy: -574.763
Base-Backbone interact. energy: 1.220
local terms energy: -597.222721
where:
bonds (distance) C4'-P energy: -112.239
bonds (distance) P-C4' energy: -117.441
flat angles C4'-P-C4' energy: -123.392
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -161.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1818.331874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.331874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.331874 (E_RNA)
where:
Base-Base interactions energy: -1271.440
where: short stacking energy: -541.516
Base-Backbone interact. energy: -2.372
local terms energy: -544.519956
where:
bonds (distance) C4'-P energy: -103.984
bonds (distance) P-C4' energy: -94.905
flat angles C4'-P-C4' energy: -111.421
flat angles P-C4'-P energy: -86.721
tors. eta vs tors. theta energy: -147.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1766.182294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.182294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.182294 (E_RNA)
where:
Base-Base interactions energy: -1231.198
where: short stacking energy: -520.192
Base-Backbone interact. energy: -1.302
local terms energy: -533.683200
where:
bonds (distance) C4'-P energy: -101.763
bonds (distance) P-C4' energy: -99.601
flat angles C4'-P-C4' energy: -116.820
flat angles P-C4'-P energy: -74.407
tors. eta vs tors. theta energy: -141.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1691.615257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.615257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.615257 (E_RNA)
where:
Base-Base interactions energy: -1164.369
where: short stacking energy: -517.224
Base-Backbone interact. energy: -2.395
local terms energy: -524.851701
where:
bonds (distance) C4'-P energy: -91.715
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -77.936
tors. eta vs tors. theta energy: -146.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1630.325556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.325556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.325556 (E_RNA)
where:
Base-Base interactions energy: -1118.442
where: short stacking energy: -468.671
Base-Backbone interact. energy: -1.645
local terms energy: -510.238137
where:
bonds (distance) C4'-P energy: -108.789
bonds (distance) P-C4' energy: -100.291
flat angles C4'-P-C4' energy: -111.003
flat angles P-C4'-P energy: -71.449
tors. eta vs tors. theta energy: -118.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1647.781956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.781956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.781956 (E_RNA)
where:
Base-Base interactions energy: -1146.313
where: short stacking energy: -454.002
Base-Backbone interact. energy: -3.006
local terms energy: -498.463062
where:
bonds (distance) C4'-P energy: -109.437
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -98.986
flat angles P-C4'-P energy: -69.630
tors. eta vs tors. theta energy: -124.173
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: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1313.716102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.716102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.716102 (E_RNA)
where:
Base-Base interactions energy: -895.677
where: short stacking energy: -366.395
Base-Backbone interact. energy: -3.299
local terms energy: -414.740033
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -84.218
flat angles C4'-P-C4' energy: -100.656
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: -72.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1261.258830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.258830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.258830 (E_RNA)
where:
Base-Base interactions energy: -847.176
where: short stacking energy: -391.512
Base-Backbone interact. energy: 1.903
local terms energy: -415.986316
where:
bonds (distance) C4'-P energy: -66.156
bonds (distance) P-C4' energy: -98.631
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -67.359
tors. eta vs tors. theta energy: -77.640
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: 198
Temperature: 1.300000
Total energy: -1024.320036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.320036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.320036 (E_RNA)
where:
Base-Base interactions energy: -663.489
where: short stacking energy: -312.807
Base-Backbone interact. energy: 0.309
local terms energy: -361.140160
where:
bonds (distance) C4'-P energy: -74.122
bonds (distance) P-C4' energy: -83.818
flat angles C4'-P-C4' energy: -90.192
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -47.193
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: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -809.578214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.578214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.578214 (E_RNA)
where:
Base-Base interactions energy: -502.413
where: short stacking energy: -220.633
Base-Backbone interact. energy: 0.968
local terms energy: -308.133131
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -77.024
flat angles C4'-P-C4' energy: -94.624
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1946.281913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.281913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.281913 (E_RNA)
where:
Base-Base interactions energy: -1354.111
where: short stacking energy: -582.947
Base-Backbone interact. energy: -5.474
local terms energy: -586.697049
where:
bonds (distance) C4'-P energy: -108.673
bonds (distance) P-C4' energy: -104.815
flat angles C4'-P-C4' energy: -125.926
flat angles P-C4'-P energy: -83.368
tors. eta vs tors. theta energy: -163.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1785.749391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.749391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.749391 (E_RNA)
where:
Base-Base interactions energy: -1245.375
where: short stacking energy: -500.154
Base-Backbone interact. energy: -1.011
local terms energy: -539.363144
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -103.026
flat angles C4'-P-C4' energy: -128.824
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: -133.498
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: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1791.408950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.408950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.408950 (E_RNA)
where:
Base-Base interactions energy: -1251.186
where: short stacking energy: -521.891
Base-Backbone interact. energy: -0.261
local terms energy: -539.961648
where:
bonds (distance) C4'-P energy: -96.424
bonds (distance) P-C4' energy: -99.390
flat angles C4'-P-C4' energy: -121.647
flat angles P-C4'-P energy: -87.157
tors. eta vs tors. theta energy: -135.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1687.551583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.551583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.551583 (E_RNA)
where:
Base-Base interactions energy: -1150.088
where: short stacking energy: -491.920
Base-Backbone interact. energy: 0.220
local terms energy: -537.683218
where:
bonds (distance) C4'-P energy: -100.600
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -117.203
flat angles P-C4'-P energy: -77.499
tors. eta vs tors. theta energy: -142.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1613.195048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.195048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.195048 (E_RNA)
where:
Base-Base interactions energy: -1107.512
where: short stacking energy: -446.693
Base-Backbone interact. energy: -1.577
local terms energy: -504.106294
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -118.392
flat angles P-C4'-P energy: -69.949
tors. eta vs tors. theta energy: -108.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1638.825919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.825919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.825919 (E_RNA)
where:
Base-Base interactions energy: -1120.466
where: short stacking energy: -459.436
Base-Backbone interact. energy: -1.743
local terms energy: -516.616617
where:
bonds (distance) C4'-P energy: -104.529
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -111.484
flat angles P-C4'-P energy: -70.898
tors. eta vs tors. theta energy: -118.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1349.474052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.474052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.474052 (E_RNA)
where:
Base-Base interactions energy: -927.623
where: short stacking energy: -401.838
Base-Backbone interact. energy: -0.454
local terms energy: -421.396929
where:
bonds (distance) C4'-P energy: -98.183
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -103.407
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -81.599
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: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1250.136291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.136291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.136291 (E_RNA)
where:
Base-Base interactions energy: -861.114
where: short stacking energy: -352.096
Base-Backbone interact. energy: 0.305
local terms energy: -389.327447
where:
bonds (distance) C4'-P energy: -77.754
bonds (distance) P-C4' energy: -94.116
flat angles C4'-P-C4' energy: -93.805
flat angles P-C4'-P energy: -51.448
tors. eta vs tors. theta energy: -72.204
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1038.851060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.851060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.851060 (E_RNA)
where:
Base-Base interactions energy: -670.234
where: short stacking energy: -296.838
Base-Backbone interact. energy: -0.955
local terms energy: -367.662317
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -98.719
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -58.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -813.551677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.551677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.551677 (E_RNA)
where:
Base-Base interactions energy: -484.648
where: short stacking energy: -227.023
Base-Backbone interact. energy: 13.574
local terms energy: -342.477931
where:
bonds (distance) C4'-P energy: -85.596
bonds (distance) P-C4' energy: -95.344
flat angles C4'-P-C4' energy: -73.884
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1936.300107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.300107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.300107 (E_RNA)
where:
Base-Base interactions energy: -1336.837
where: short stacking energy: -596.704
Base-Backbone interact. energy: -3.036
local terms energy: -596.427309
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -106.272
flat angles C4'-P-C4' energy: -127.169
flat angles P-C4'-P energy: -87.693
tors. eta vs tors. theta energy: -160.320
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: 200
Temperature: 0.950000
Total energy: -1797.629369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.629369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.629369 (E_RNA)
where:
Base-Base interactions energy: -1260.945
where: short stacking energy: -522.281
Base-Backbone interact. energy: 7.862
local terms energy: -544.546864
where:
bonds (distance) C4'-P energy: -99.406
bonds (distance) P-C4' energy: -106.404
flat angles C4'-P-C4' energy: -115.936
flat angles P-C4'-P energy: -81.933
tors. eta vs tors. theta energy: -140.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1745.064696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.064696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.064696 (E_RNA)
where:
Base-Base interactions energy: -1226.399
where: short stacking energy: -509.535
Base-Backbone interact. energy: -2.116
local terms energy: -516.550171
where:
bonds (distance) C4'-P energy: -82.189
bonds (distance) P-C4' energy: -111.233
flat angles C4'-P-C4' energy: -124.742
flat angles P-C4'-P energy: -62.650
tors. eta vs tors. theta energy: -135.736
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1647.234645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.234645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.234645 (E_RNA)
where:
Base-Base interactions energy: -1131.519
where: short stacking energy: -482.938
Base-Backbone interact. energy: 0.781
local terms energy: -516.497472
where:
bonds (distance) C4'-P energy: -100.608
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -124.096
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -117.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1670.056110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.056110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.056110 (E_RNA)
where:
Base-Base interactions energy: -1137.181
where: short stacking energy: -470.292
Base-Backbone interact. energy: -2.336
local terms energy: -530.539178
where:
bonds (distance) C4'-P energy: -106.179
bonds (distance) P-C4' energy: -101.884
flat angles C4'-P-C4' energy: -119.092
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -122.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1605.518602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.518602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.518602 (E_RNA)
where:
Base-Base interactions energy: -1130.819
where: short stacking energy: -455.045
Base-Backbone interact. energy: 1.121
local terms energy: -475.820701
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -100.723
flat angles C4'-P-C4' energy: -106.794
flat angles P-C4'-P energy: -68.824
tors. eta vs tors. theta energy: -106.698
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: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1384.863003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.863003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.863003 (E_RNA)
where:
Base-Base interactions energy: -936.552
where: short stacking energy: -379.165
Base-Backbone interact. energy: -2.057
local terms energy: -446.254199
where:
bonds (distance) C4'-P energy: -91.865
bonds (distance) P-C4' energy: -113.949
flat angles C4'-P-C4' energy: -97.138
flat angles P-C4'-P energy: -64.900
tors. eta vs tors. theta energy: -78.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1270.842930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.842930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.842930 (E_RNA)
where:
Base-Base interactions energy: -853.060
where: short stacking energy: -367.546
Base-Backbone interact. energy: -4.409
local terms energy: -413.374271
where:
bonds (distance) C4'-P energy: -94.519
bonds (distance) P-C4' energy: -94.261
flat angles C4'-P-C4' energy: -87.589
flat angles P-C4'-P energy: -61.093
tors. eta vs tors. theta energy: -75.912
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: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1036.873272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.873272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.873272 (E_RNA)
where:
Base-Base interactions energy: -661.485
where: short stacking energy: -286.952
Base-Backbone interact. energy: 1.324
local terms energy: -376.711808
where:
bonds (distance) C4'-P energy: -83.772
bonds (distance) P-C4' energy: -101.107
flat angles C4'-P-C4' energy: -97.690
flat angles P-C4'-P energy: -49.992
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -869.362741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.362741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.362741 (E_RNA)
where:
Base-Base interactions energy: -532.206
where: short stacking energy: -242.066
Base-Backbone interact. energy: -1.699
local terms energy: -335.457923
where:
bonds (distance) C4'-P energy: -82.235
bonds (distance) P-C4' energy: -77.822
flat angles C4'-P-C4' energy: -86.755
flat angles P-C4'-P energy: -63.139
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1942.834856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.834856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.834856 (E_RNA)
where:
Base-Base interactions energy: -1360.689
where: short stacking energy: -585.552
Base-Backbone interact. energy: -1.874
local terms energy: -580.272155
where:
bonds (distance) C4'-P energy: -100.880
bonds (distance) P-C4' energy: -109.087
flat angles C4'-P-C4' energy: -132.257
flat angles P-C4'-P energy: -72.066
tors. eta vs tors. theta energy: -165.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1813.967037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.967037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.967037 (E_RNA)
where:
Base-Base interactions energy: -1253.974
where: short stacking energy: -531.613
Base-Backbone interact. energy: 0.183
local terms energy: -560.176955
where:
bonds (distance) C4'-P energy: -106.191
bonds (distance) P-C4' energy: -105.326
flat angles C4'-P-C4' energy: -115.964
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -144.321
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: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1770.598169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.598169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.598169 (E_RNA)
where:
Base-Base interactions energy: -1235.500
where: short stacking energy: -515.852
Base-Backbone interact. energy: 3.782
local terms energy: -538.880374
where:
bonds (distance) C4'-P energy: -108.093
bonds (distance) P-C4' energy: -112.365
flat angles C4'-P-C4' energy: -119.321
flat angles P-C4'-P energy: -69.224
tors. eta vs tors. theta energy: -129.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1649.615322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.615322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.615322 (E_RNA)
where:
Base-Base interactions energy: -1153.693
where: short stacking energy: -468.397
Base-Backbone interact. energy: -1.679
local terms energy: -494.243378
where:
bonds (distance) C4'-P energy: -95.661
bonds (distance) P-C4' energy: -104.420
flat angles C4'-P-C4' energy: -100.972
flat angles P-C4'-P energy: -75.387
tors. eta vs tors. theta energy: -117.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1697.489194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.489194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.489194 (E_RNA)
where:
Base-Base interactions energy: -1188.092
where: short stacking energy: -472.620
Base-Backbone interact. energy: -3.025
local terms energy: -506.371792
where:
bonds (distance) C4'-P energy: -104.845
bonds (distance) P-C4' energy: -89.422
flat angles C4'-P-C4' energy: -116.927
flat angles P-C4'-P energy: -72.072
tors. eta vs tors. theta energy: -123.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1609.383343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.383343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.383343 (E_RNA)
where:
Base-Base interactions energy: -1121.764
where: short stacking energy: -480.240
Base-Backbone interact. energy: -0.524
local terms energy: -487.094794
where:
bonds (distance) C4'-P energy: -92.732
bonds (distance) P-C4' energy: -90.871
flat angles C4'-P-C4' energy: -107.712
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -125.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1414.704379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.704379 (E_RNA)
where:
Base-Base interactions energy: -972.374
where: short stacking energy: -412.923
Base-Backbone interact. energy: -3.286
local terms energy: -439.045166
where:
bonds (distance) C4'-P energy: -92.901
bonds (distance) P-C4' energy: -87.090
flat angles C4'-P-C4' energy: -101.284
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -106.145
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: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1280.422386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.422386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.422386 (E_RNA)
where:
Base-Base interactions energy: -853.580
where: short stacking energy: -375.079
Base-Backbone interact. energy: -1.403
local terms energy: -425.440073
where:
bonds (distance) C4'-P energy: -73.257
bonds (distance) P-C4' energy: -87.752
flat angles C4'-P-C4' energy: -110.225
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: -90.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -996.810945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.810945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.810945 (E_RNA)
where:
Base-Base interactions energy: -630.697
where: short stacking energy: -276.917
Base-Backbone interact. energy: -0.591
local terms energy: -365.522267
where:
bonds (distance) C4'-P energy: -89.355
bonds (distance) P-C4' energy: -86.603
flat angles C4'-P-C4' energy: -87.760
flat angles P-C4'-P energy: -60.279
tors. eta vs tors. theta energy: -41.524
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: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -886.384325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.384325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.384325 (E_RNA)
where:
Base-Base interactions energy: -545.525
where: short stacking energy: -269.838
Base-Backbone interact. energy: -0.375
local terms energy: -340.483927
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -77.919
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: -39.331
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: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1950.958056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.958056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.958056 (E_RNA)
where:
Base-Base interactions energy: -1359.203
where: short stacking energy: -590.217
Base-Backbone interact. energy: -1.566
local terms energy: -590.188338
where:
bonds (distance) C4'-P energy: -111.696
bonds (distance) P-C4' energy: -98.152
flat angles C4'-P-C4' energy: -129.142
flat angles P-C4'-P energy: -86.355
tors. eta vs tors. theta energy: -164.843
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: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1806.212764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.212764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.212764 (E_RNA)
where:
Base-Base interactions energy: -1270.921
where: short stacking energy: -512.394
Base-Backbone interact. energy: 2.256
local terms energy: -537.548105
where:
bonds (distance) C4'-P energy: -108.451
bonds (distance) P-C4' energy: -99.119
flat angles C4'-P-C4' energy: -124.784
flat angles P-C4'-P energy: -67.905
tors. eta vs tors. theta energy: -137.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1775.460275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.460275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.460275 (E_RNA)
where:
Base-Base interactions energy: -1208.220
where: short stacking energy: -503.405
Base-Backbone interact. energy: 0.818
local terms energy: -568.058702
where:
bonds (distance) C4'-P energy: -108.049
bonds (distance) P-C4' energy: -115.114
flat angles C4'-P-C4' energy: -113.970
flat angles P-C4'-P energy: -86.769
tors. eta vs tors. theta energy: -144.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1628.344792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.344792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.344792 (E_RNA)
where:
Base-Base interactions energy: -1106.978
where: short stacking energy: -472.980
Base-Backbone interact. energy: -2.003
local terms energy: -519.364366
where:
bonds (distance) C4'-P energy: -103.192
bonds (distance) P-C4' energy: -99.875
flat angles C4'-P-C4' energy: -110.350
flat angles P-C4'-P energy: -85.354
tors. eta vs tors. theta energy: -120.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1682.174122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.174122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.174122 (E_RNA)
where:
Base-Base interactions energy: -1175.608
where: short stacking energy: -477.796
Base-Backbone interact. energy: -1.806
local terms energy: -504.760094
where:
bonds (distance) C4'-P energy: -98.385
bonds (distance) P-C4' energy: -101.623
flat angles C4'-P-C4' energy: -118.339
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -119.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1599.478914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.478914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.478914 (E_RNA)
where:
Base-Base interactions energy: -1141.479
where: short stacking energy: -475.257
Base-Backbone interact. energy: 0.146
local terms energy: -458.145782
where:
bonds (distance) C4'-P energy: -73.659
bonds (distance) P-C4' energy: -91.810
flat angles C4'-P-C4' energy: -98.682
flat angles P-C4'-P energy: -67.716
tors. eta vs tors. theta energy: -126.279
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: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1400.205992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.205992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.205992 (E_RNA)
where:
Base-Base interactions energy: -947.630
where: short stacking energy: -396.081
Base-Backbone interact. energy: -2.834
local terms energy: -449.741485
where:
bonds (distance) C4'-P energy: -82.917
bonds (distance) P-C4' energy: -108.714
flat angles C4'-P-C4' energy: -102.670
flat angles P-C4'-P energy: -66.515
tors. eta vs tors. theta energy: -88.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1256.065606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.065606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.065606 (E_RNA)
where:
Base-Base interactions energy: -838.978
where: short stacking energy: -361.682
Base-Backbone interact. energy: -1.675
local terms energy: -415.413538
where:
bonds (distance) C4'-P energy: -79.933
bonds (distance) P-C4' energy: -97.813
flat angles C4'-P-C4' energy: -91.479
flat angles P-C4'-P energy: -63.831
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: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1090.695914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.695914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.695914 (E_RNA)
where:
Base-Base interactions energy: -712.990
where: short stacking energy: -345.094
Base-Backbone interact. energy: -0.924
local terms energy: -376.782334
where:
bonds (distance) C4'-P energy: -72.442
bonds (distance) P-C4' energy: -79.304
flat angles C4'-P-C4' energy: -89.818
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -72.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -820.377390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.377390 (E_RNA)
where:
Base-Base interactions energy: -474.347
where: short stacking energy: -229.090
Base-Backbone interact. energy: 2.475
local terms energy: -348.505853
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -91.736
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -27.136
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: 203
Temperature: 0.900000
Total energy: -1892.469936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.469936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.469936 (E_RNA)
where:
Base-Base interactions energy: -1330.276
where: short stacking energy: -568.613
Base-Backbone interact. energy: -0.537
local terms energy: -561.656292
where:
bonds (distance) C4'-P energy: -101.956
bonds (distance) P-C4' energy: -105.991
flat angles C4'-P-C4' energy: -117.000
flat angles P-C4'-P energy: -74.033
tors. eta vs tors. theta energy: -162.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1806.344337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.344337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.344337 (E_RNA)
where:
Base-Base interactions energy: -1245.943
where: short stacking energy: -515.525
Base-Backbone interact. energy: -2.708
local terms energy: -557.693763
where:
bonds (distance) C4'-P energy: -109.912
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -117.966
flat angles P-C4'-P energy: -88.437
tors. eta vs tors. theta energy: -144.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1771.294923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.294923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.294923 (E_RNA)
where:
Base-Base interactions energy: -1248.377
where: short stacking energy: -514.536
Base-Backbone interact. energy: -1.151
local terms energy: -521.766768
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -105.794
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -75.695
tors. eta vs tors. theta energy: -135.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1619.568702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.568702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.568702 (E_RNA)
where:
Base-Base interactions energy: -1124.486
where: short stacking energy: -463.518
Base-Backbone interact. energy: -0.472
local terms energy: -494.610951
where:
bonds (distance) C4'-P energy: -104.112
bonds (distance) P-C4' energy: -98.823
flat angles C4'-P-C4' energy: -100.614
flat angles P-C4'-P energy: -68.979
tors. eta vs tors. theta energy: -122.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1644.646683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.646683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.646683 (E_RNA)
where:
Base-Base interactions energy: -1159.321
where: short stacking energy: -470.397
Base-Backbone interact. energy: 0.867
local terms energy: -486.193473
where:
bonds (distance) C4'-P energy: -81.807
bonds (distance) P-C4' energy: -99.185
flat angles C4'-P-C4' energy: -104.862
flat angles P-C4'-P energy: -74.624
tors. eta vs tors. theta energy: -125.716
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: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1611.033034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.033034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.033034 (E_RNA)
where:
Base-Base interactions energy: -1151.029
where: short stacking energy: -467.584
Base-Backbone interact. energy: 7.541
local terms energy: -467.544177
where:
bonds (distance) C4'-P energy: -91.500
bonds (distance) P-C4' energy: -92.977
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -68.076
tors. eta vs tors. theta energy: -114.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1353.283108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.283108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.283108 (E_RNA)
where:
Base-Base interactions energy: -936.681
where: short stacking energy: -391.326
Base-Backbone interact. energy: -1.462
local terms energy: -415.139535
where:
bonds (distance) C4'-P energy: -84.496
bonds (distance) P-C4' energy: -90.715
flat angles C4'-P-C4' energy: -87.765
flat angles P-C4'-P energy: -62.283
tors. eta vs tors. theta energy: -89.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1273.189004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.189004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.189004 (E_RNA)
where:
Base-Base interactions energy: -846.303
where: short stacking energy: -355.818
Base-Backbone interact. energy: 0.834
local terms energy: -427.719587
where:
bonds (distance) C4'-P energy: -84.859
bonds (distance) P-C4' energy: -95.405
flat angles C4'-P-C4' energy: -107.882
flat angles P-C4'-P energy: -59.894
tors. eta vs tors. theta energy: -79.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1032.868965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.868965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.868965 (E_RNA)
where:
Base-Base interactions energy: -666.704
where: short stacking energy: -303.545
Base-Backbone interact. energy: -1.003
local terms energy: -365.161980
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -86.664
flat angles C4'-P-C4' energy: -76.231
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -66.224
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: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -846.413580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.413580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.413580 (E_RNA)
where:
Base-Base interactions energy: -510.167
where: short stacking energy: -244.339
Base-Backbone interact. energy: -0.952
local terms energy: -335.294761
where:
bonds (distance) C4'-P energy: -65.197
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -92.974
flat angles P-C4'-P energy: -49.368
tors. eta vs tors. theta energy: -30.769
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: 204
Temperature: 0.900000
Total energy: -1918.535204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.535204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.535204 (E_RNA)
where:
Base-Base interactions energy: -1341.373
where: short stacking energy: -568.966
Base-Backbone interact. energy: -3.646
local terms energy: -573.517092
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -107.883
flat angles C4'-P-C4' energy: -130.337
flat angles P-C4'-P energy: -83.731
tors. eta vs tors. theta energy: -158.573
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: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1816.592284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.592284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.592284 (E_RNA)
where:
Base-Base interactions energy: -1274.428
where: short stacking energy: -543.851
Base-Backbone interact. energy: -0.363
local terms energy: -541.800926
where:
bonds (distance) C4'-P energy: -95.813
bonds (distance) P-C4' energy: -93.440
flat angles C4'-P-C4' energy: -125.441
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -148.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1785.980702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.980702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.980702 (E_RNA)
where:
Base-Base interactions energy: -1248.196
where: short stacking energy: -519.395
Base-Backbone interact. energy: -2.921
local terms energy: -534.863693
where:
bonds (distance) C4'-P energy: -95.019
bonds (distance) P-C4' energy: -104.423
flat angles C4'-P-C4' energy: -121.727
flat angles P-C4'-P energy: -66.221
tors. eta vs tors. theta energy: -147.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1657.123313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.123313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.123313 (E_RNA)
where:
Base-Base interactions energy: -1139.749
where: short stacking energy: -491.959
Base-Backbone interact. energy: -0.774
local terms energy: -516.600168
where:
bonds (distance) C4'-P energy: -100.482
bonds (distance) P-C4' energy: -85.656
flat angles C4'-P-C4' energy: -122.097
flat angles P-C4'-P energy: -72.991
tors. eta vs tors. theta energy: -135.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1654.806381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.806381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.806381 (E_RNA)
where:
Base-Base interactions energy: -1174.018
where: short stacking energy: -474.464
Base-Backbone interact. energy: 2.558
local terms energy: -483.346496
where:
bonds (distance) C4'-P energy: -94.285
bonds (distance) P-C4' energy: -85.760
flat angles C4'-P-C4' energy: -108.779
flat angles P-C4'-P energy: -71.365
tors. eta vs tors. theta energy: -123.157
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: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1595.307761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.307761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.307761 (E_RNA)
where:
Base-Base interactions energy: -1101.237
where: short stacking energy: -438.693
Base-Backbone interact. energy: -0.872
local terms energy: -493.198508
where:
bonds (distance) C4'-P energy: -101.484
bonds (distance) P-C4' energy: -99.721
flat angles C4'-P-C4' energy: -112.185
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -109.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1378.591791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.591791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.591791 (E_RNA)
where:
Base-Base interactions energy: -908.694
where: short stacking energy: -377.191
Base-Backbone interact. energy: -3.409
local terms energy: -466.489453
where:
bonds (distance) C4'-P energy: -93.809
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -74.483
tors. eta vs tors. theta energy: -99.856
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1213.914011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.914011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.914011 (E_RNA)
where:
Base-Base interactions energy: -836.346
where: short stacking energy: -365.237
Base-Backbone interact. energy: -2.697
local terms energy: -374.870945
where:
bonds (distance) C4'-P energy: -81.927
bonds (distance) P-C4' energy: -55.331
flat angles C4'-P-C4' energy: -98.721
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -79.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1003.932055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.932055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.932055 (E_RNA)
where:
Base-Base interactions energy: -671.982
where: short stacking energy: -308.876
Base-Backbone interact. energy: -1.119
local terms energy: -330.830687
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -80.092
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -55.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -835.482484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.482484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.482484 (E_RNA)
where:
Base-Base interactions energy: -472.563
where: short stacking energy: -222.638
Base-Backbone interact. energy: -1.960
local terms energy: -360.959274
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -103.439
flat angles C4'-P-C4' energy: -84.762
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: -40.304
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1916.670779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.670779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.670779 (E_RNA)
where:
Base-Base interactions energy: -1340.957
where: short stacking energy: -560.315
Base-Backbone interact. energy: -3.780
local terms energy: -571.933469
where:
bonds (distance) C4'-P energy: -103.199
bonds (distance) P-C4' energy: -102.418
flat angles C4'-P-C4' energy: -118.530
flat angles P-C4'-P energy: -91.007
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: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1863.116197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.116197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.116197 (E_RNA)
where:
Base-Base interactions energy: -1281.381
where: short stacking energy: -550.179
Base-Backbone interact. energy: 0.850
local terms energy: -582.585210
where:
bonds (distance) C4'-P energy: -111.941
bonds (distance) P-C4' energy: -109.450
flat angles C4'-P-C4' energy: -125.034
flat angles P-C4'-P energy: -85.953
tors. eta vs tors. theta energy: -150.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1778.253741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.253741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.253741 (E_RNA)
where:
Base-Base interactions energy: -1216.167
where: short stacking energy: -504.671
Base-Backbone interact. energy: -4.683
local terms energy: -557.403193
where:
bonds (distance) C4'-P energy: -101.158
bonds (distance) P-C4' energy: -116.608
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -140.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1663.628764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.628764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.628764 (E_RNA)
where:
Base-Base interactions energy: -1158.405
where: short stacking energy: -492.024
Base-Backbone interact. energy: -0.888
local terms energy: -504.335910
where:
bonds (distance) C4'-P energy: -99.454
bonds (distance) P-C4' energy: -96.341
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -66.113
tors. eta vs tors. theta energy: -125.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1677.487761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.487761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.487761 (E_RNA)
where:
Base-Base interactions energy: -1202.021
where: short stacking energy: -498.594
Base-Backbone interact. energy: 8.182
local terms energy: -483.648891
where:
bonds (distance) C4'-P energy: -96.425
bonds (distance) P-C4' energy: -94.634
flat angles C4'-P-C4' energy: -107.034
flat angles P-C4'-P energy: -61.019
tors. eta vs tors. theta energy: -124.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1588.643765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.643765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.643765 (E_RNA)
where:
Base-Base interactions energy: -1141.320
where: short stacking energy: -479.171
Base-Backbone interact. energy: -1.732
local terms energy: -445.591004
where:
bonds (distance) C4'-P energy: -67.873
bonds (distance) P-C4' energy: -88.391
flat angles C4'-P-C4' energy: -115.371
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -110.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1395.468985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.468985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.468985 (E_RNA)
where:
Base-Base interactions energy: -982.521
where: short stacking energy: -416.343
Base-Backbone interact. energy: 0.761
local terms energy: -413.708184
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -84.550
flat angles P-C4'-P energy: -64.251
tors. eta vs tors. theta energy: -99.246
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: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1216.498294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.498294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.498294 (E_RNA)
where:
Base-Base interactions energy: -819.360
where: short stacking energy: -362.199
Base-Backbone interact. energy: 0.383
local terms energy: -397.521318
where:
bonds (distance) C4'-P energy: -99.391
bonds (distance) P-C4' energy: -83.282
flat angles C4'-P-C4' energy: -94.436
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -67.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -962.166204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.166204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.166204 (E_RNA)
where:
Base-Base interactions energy: -602.694
where: short stacking energy: -270.641
Base-Backbone interact. energy: 2.230
local terms energy: -361.702759
where:
bonds (distance) C4'-P energy: -99.630
bonds (distance) P-C4' energy: -92.510
flat angles C4'-P-C4' energy: -93.679
flat angles P-C4'-P energy: -36.016
tors. eta vs tors. theta energy: -39.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -855.213553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.213553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.213553 (E_RNA)
where:
Base-Base interactions energy: -529.156
where: short stacking energy: -251.429
Base-Backbone interact. energy: 2.691
local terms energy: -328.749391
where:
bonds (distance) C4'-P energy: -71.024
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -95.982
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -32.155
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: 206
Temperature: 0.900000
Total energy: -1910.563458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.563458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.563458 (E_RNA)
where:
Base-Base interactions energy: -1340.787
where: short stacking energy: -574.916
Base-Backbone interact. energy: -1.043
local terms energy: -568.733595
where:
bonds (distance) C4'-P energy: -106.725
bonds (distance) P-C4' energy: -104.424
flat angles C4'-P-C4' energy: -122.633
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -155.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1855.074307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.074307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.074307 (E_RNA)
where:
Base-Base interactions energy: -1275.102
where: short stacking energy: -534.825
Base-Backbone interact. energy: -2.230
local terms energy: -577.742568
where:
bonds (distance) C4'-P energy: -109.864
bonds (distance) P-C4' energy: -112.194
flat angles C4'-P-C4' energy: -116.562
flat angles P-C4'-P energy: -86.828
tors. eta vs tors. theta energy: -152.295
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1718.061528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.061528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.061528 (E_RNA)
where:
Base-Base interactions energy: -1208.366
where: short stacking energy: -519.499
Base-Backbone interact. energy: 0.553
local terms energy: -510.248182
where:
bonds (distance) C4'-P energy: -90.794
bonds (distance) P-C4' energy: -109.753
flat angles C4'-P-C4' energy: -111.622
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -127.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1748.794732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.794732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.794732 (E_RNA)
where:
Base-Base interactions energy: -1236.521
where: short stacking energy: -505.944
Base-Backbone interact. energy: -3.788
local terms energy: -508.484934
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -108.237
flat angles P-C4'-P energy: -75.102
tors. eta vs tors. theta energy: -140.592
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: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1695.129296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.129296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.129296 (E_RNA)
where:
Base-Base interactions energy: -1183.541
where: short stacking energy: -499.734
Base-Backbone interact. energy: 8.322
local terms energy: -519.910696
where:
bonds (distance) C4'-P energy: -89.927
bonds (distance) P-C4' energy: -107.169
flat angles C4'-P-C4' energy: -116.875
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -132.386
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: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1554.242448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.242448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.242448 (E_RNA)
where:
Base-Base interactions energy: -1102.491
where: short stacking energy: -434.547
Base-Backbone interact. energy: -2.360
local terms energy: -449.392000
where:
bonds (distance) C4'-P energy: -90.183
bonds (distance) P-C4' energy: -84.337
flat angles C4'-P-C4' energy: -111.218
flat angles P-C4'-P energy: -65.707
tors. eta vs tors. theta energy: -97.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1359.104000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.104000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.104000 (E_RNA)
where:
Base-Base interactions energy: -940.889
where: short stacking energy: -390.244
Base-Backbone interact. energy: -1.131
local terms energy: -417.084639
where:
bonds (distance) C4'-P energy: -84.906
bonds (distance) P-C4' energy: -92.195
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -61.864
tors. eta vs tors. theta energy: -82.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1260.509972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.509972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.509972 (E_RNA)
where:
Base-Base interactions energy: -836.022
where: short stacking energy: -354.021
Base-Backbone interact. energy: -3.726
local terms energy: -420.761417
where:
bonds (distance) C4'-P energy: -96.006
bonds (distance) P-C4' energy: -91.178
flat angles C4'-P-C4' energy: -93.004
flat angles P-C4'-P energy: -53.272
tors. eta vs tors. theta energy: -87.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1011.313862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.313862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.313862 (E_RNA)
where:
Base-Base interactions energy: -617.962
where: short stacking energy: -276.865
Base-Backbone interact. energy: 0.060
local terms energy: -393.411909
where:
bonds (distance) C4'-P energy: -90.127
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -97.217
flat angles P-C4'-P energy: -63.453
tors. eta vs tors. theta energy: -52.420
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: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -824.229922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.229922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.229922 (E_RNA)
where:
Base-Base interactions energy: -528.939
where: short stacking energy: -250.248
Base-Backbone interact. energy: 0.456
local terms energy: -295.746101
where:
bonds (distance) C4'-P energy: -84.093
bonds (distance) P-C4' energy: -89.847
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1920.080256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.080256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.080256 (E_RNA)
where:
Base-Base interactions energy: -1347.462
where: short stacking energy: -584.145
Base-Backbone interact. energy: -0.608
local terms energy: -572.009921
where:
bonds (distance) C4'-P energy: -98.590
bonds (distance) P-C4' energy: -118.203
flat angles C4'-P-C4' energy: -124.896
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -155.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1850.224877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.224877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.224877 (E_RNA)
where:
Base-Base interactions energy: -1304.964
where: short stacking energy: -540.397
Base-Backbone interact. energy: -3.244
local terms energy: -542.016914
where:
bonds (distance) C4'-P energy: -103.589
bonds (distance) P-C4' energy: -93.583
flat angles C4'-P-C4' energy: -120.829
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -142.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1706.750463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.750463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.750463 (E_RNA)
where:
Base-Base interactions energy: -1194.177
where: short stacking energy: -502.446
Base-Backbone interact. energy: -1.142
local terms energy: -511.430859
where:
bonds (distance) C4'-P energy: -96.994
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -114.594
flat angles P-C4'-P energy: -65.831
tors. eta vs tors. theta energy: -137.500
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: 207
Temperature: 1.050000
Total energy: -1757.636947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.636947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.636947 (E_RNA)
where:
Base-Base interactions energy: -1216.961
where: short stacking energy: -495.060
Base-Backbone interact. energy: -1.534
local terms energy: -539.141747
where:
bonds (distance) C4'-P energy: -102.603
bonds (distance) P-C4' energy: -104.113
flat angles C4'-P-C4' energy: -114.381
flat angles P-C4'-P energy: -78.666
tors. eta vs tors. theta energy: -139.379
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1694.770433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.770433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.770433 (E_RNA)
where:
Base-Base interactions energy: -1186.139
where: short stacking energy: -487.380
Base-Backbone interact. energy: -4.989
local terms energy: -503.642993
where:
bonds (distance) C4'-P energy: -97.243
bonds (distance) P-C4' energy: -98.732
flat angles C4'-P-C4' energy: -116.808
flat angles P-C4'-P energy: -64.150
tors. eta vs tors. theta energy: -126.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1560.720388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.720388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.720388 (E_RNA)
where:
Base-Base interactions energy: -1096.804
where: short stacking energy: -451.923
Base-Backbone interact. energy: 1.619
local terms energy: -465.535674
where:
bonds (distance) C4'-P energy: -83.207
bonds (distance) P-C4' energy: -94.108
flat angles C4'-P-C4' energy: -101.372
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -115.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1337.581619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.581619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.581619 (E_RNA)
where:
Base-Base interactions energy: -909.837
where: short stacking energy: -371.173
Base-Backbone interact. energy: -0.764
local terms energy: -426.980565
where:
bonds (distance) C4'-P energy: -78.510
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -101.527
flat angles P-C4'-P energy: -57.299
tors. eta vs tors. theta energy: -83.124
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: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1232.039790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.039790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.039790 (E_RNA)
where:
Base-Base interactions energy: -864.699
where: short stacking energy: -375.337
Base-Backbone interact. energy: 2.327
local terms energy: -369.667638
where:
bonds (distance) C4'-P energy: -62.940
bonds (distance) P-C4' energy: -108.895
flat angles C4'-P-C4' energy: -82.996
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: -71.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1007.149054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.149054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.149054 (E_RNA)
where:
Base-Base interactions energy: -646.560
where: short stacking energy: -315.704
Base-Backbone interact. energy: -1.913
local terms energy: -358.675930
where:
bonds (distance) C4'-P energy: -76.323
bonds (distance) P-C4' energy: -98.875
flat angles C4'-P-C4' energy: -85.831
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -51.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -848.822171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.822171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.822171 (E_RNA)
where:
Base-Base interactions energy: -530.743
where: short stacking energy: -256.301
Base-Backbone interact. energy: -1.178
local terms energy: -316.901730
where:
bonds (distance) C4'-P energy: -77.832
bonds (distance) P-C4' energy: -81.242
flat angles C4'-P-C4' energy: -85.741
flat angles P-C4'-P energy: -43.334
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: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1916.761519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.761519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.761519 (E_RNA)
where:
Base-Base interactions energy: -1354.040
where: short stacking energy: -569.898
Base-Backbone interact. energy: -3.046
local terms energy: -559.675233
where:
bonds (distance) C4'-P energy: -104.057
bonds (distance) P-C4' energy: -98.529
flat angles C4'-P-C4' energy: -124.859
flat angles P-C4'-P energy: -71.455
tors. eta vs tors. theta energy: -160.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1844.169594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.169594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.169594 (E_RNA)
where:
Base-Base interactions energy: -1277.371
where: short stacking energy: -549.302
Base-Backbone interact. energy: -1.580
local terms energy: -565.218752
where:
bonds (distance) C4'-P energy: -104.915
bonds (distance) P-C4' energy: -106.336
flat angles C4'-P-C4' energy: -113.252
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -160.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1746.124955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.124955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.124955 (E_RNA)
where:
Base-Base interactions energy: -1222.240
where: short stacking energy: -525.217
Base-Backbone interact. energy: -0.385
local terms energy: -523.500206
where:
bonds (distance) C4'-P energy: -99.505
bonds (distance) P-C4' energy: -109.010
flat angles C4'-P-C4' energy: -111.572
flat angles P-C4'-P energy: -66.430
tors. eta vs tors. theta energy: -136.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1748.160257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.160257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.160257 (E_RNA)
where:
Base-Base interactions energy: -1212.092
where: short stacking energy: -499.654
Base-Backbone interact. energy: -2.413
local terms energy: -533.655907
where:
bonds (distance) C4'-P energy: -106.534
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -126.821
flat angles P-C4'-P energy: -67.717
tors. eta vs tors. theta energy: -137.326
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1695.661528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.661528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.661528 (E_RNA)
where:
Base-Base interactions energy: -1200.928
where: short stacking energy: -478.557
Base-Backbone interact. energy: 0.155
local terms energy: -494.888943
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -86.719
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -72.272
tors. eta vs tors. theta energy: -128.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1558.963837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.963837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.963837 (E_RNA)
where:
Base-Base interactions energy: -1091.185
where: short stacking energy: -422.142
Base-Backbone interact. energy: -0.459
local terms energy: -467.319890
where:
bonds (distance) C4'-P energy: -86.308
bonds (distance) P-C4' energy: -91.590
flat angles C4'-P-C4' energy: -103.670
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -114.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1352.067644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.067644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.067644 (E_RNA)
where:
Base-Base interactions energy: -921.205
where: short stacking energy: -397.338
Base-Backbone interact. energy: -3.000
local terms energy: -427.862386
where:
bonds (distance) C4'-P energy: -85.154
bonds (distance) P-C4' energy: -98.923
flat angles C4'-P-C4' energy: -96.662
flat angles P-C4'-P energy: -55.058
tors. eta vs tors. theta energy: -92.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1259.602603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.602603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.602603 (E_RNA)
where:
Base-Base interactions energy: -840.581
where: short stacking energy: -369.621
Base-Backbone interact. energy: -2.087
local terms energy: -416.934650
where:
bonds (distance) C4'-P energy: -81.080
bonds (distance) P-C4' energy: -102.497
flat angles C4'-P-C4' energy: -94.541
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: -74.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1026.581159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.581159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.581159 (E_RNA)
where:
Base-Base interactions energy: -654.144
where: short stacking energy: -300.679
Base-Backbone interact. energy: -1.521
local terms energy: -370.916772
where:
bonds (distance) C4'-P energy: -93.375
bonds (distance) P-C4' energy: -91.689
flat angles C4'-P-C4' energy: -91.599
flat angles P-C4'-P energy: -47.315
tors. eta vs tors. theta energy: -46.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -843.643816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.643816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.643816 (E_RNA)
where:
Base-Base interactions energy: -515.462
where: short stacking energy: -249.021
Base-Backbone interact. energy: -0.381
local terms energy: -327.801134
where:
bonds (distance) C4'-P energy: -74.998
bonds (distance) P-C4' energy: -102.074
flat angles C4'-P-C4' energy: -79.989
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -40.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1932.683255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.683255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.683255 (E_RNA)
where:
Base-Base interactions energy: -1342.895
where: short stacking energy: -574.608
Base-Backbone interact. energy: -2.744
local terms energy: -587.043952
where:
bonds (distance) C4'-P energy: -94.514
bonds (distance) P-C4' energy: -117.176
flat angles C4'-P-C4' energy: -126.567
flat angles P-C4'-P energy: -90.237
tors. eta vs tors. theta energy: -158.550
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1769.524991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.524991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.524991 (E_RNA)
where:
Base-Base interactions energy: -1219.059
where: short stacking energy: -530.552
Base-Backbone interact. energy: -1.524
local terms energy: -548.941854
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -120.160
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -143.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1823.103112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.103112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.103112 (E_RNA)
where:
Base-Base interactions energy: -1270.007
where: short stacking energy: -547.195
Base-Backbone interact. energy: -3.631
local terms energy: -549.465109
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -108.773
flat angles C4'-P-C4' energy: -121.523
flat angles P-C4'-P energy: -75.030
tors. eta vs tors. theta energy: -146.312
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: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1742.300407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.300407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.300407 (E_RNA)
where:
Base-Base interactions energy: -1228.818
where: short stacking energy: -512.346
Base-Backbone interact. energy: -2.326
local terms energy: -511.156317
where:
bonds (distance) C4'-P energy: -88.263
bonds (distance) P-C4' energy: -88.857
flat angles C4'-P-C4' energy: -117.136
flat angles P-C4'-P energy: -85.749
tors. eta vs tors. theta energy: -131.151
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: 209
Temperature: 1.100000
Total energy: -1712.945591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.945591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.945591 (E_RNA)
where:
Base-Base interactions energy: -1216.705
where: short stacking energy: -509.961
Base-Backbone interact. energy: -3.221
local terms energy: -493.020165
where:
bonds (distance) C4'-P energy: -80.409
bonds (distance) P-C4' energy: -85.665
flat angles C4'-P-C4' energy: -112.585
flat angles P-C4'-P energy: -74.113
tors. eta vs tors. theta energy: -140.248
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: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1600.860104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.860104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.860104 (E_RNA)
where:
Base-Base interactions energy: -1137.624
where: short stacking energy: -456.331
Base-Backbone interact. energy: -3.857
local terms energy: -459.379201
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -91.186
flat angles C4'-P-C4' energy: -121.890
flat angles P-C4'-P energy: -68.757
tors. eta vs tors. theta energy: -98.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1350.242819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.242819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.242819 (E_RNA)
where:
Base-Base interactions energy: -906.048
where: short stacking energy: -390.455
Base-Backbone interact. energy: -1.713
local terms energy: -442.482217
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -94.120
flat angles C4'-P-C4' energy: -100.291
flat angles P-C4'-P energy: -58.361
tors. eta vs tors. theta energy: -101.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1277.372537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.372537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.372537 (E_RNA)
where:
Base-Base interactions energy: -883.549
where: short stacking energy: -373.921
Base-Backbone interact. energy: -2.892
local terms energy: -390.931668
where:
bonds (distance) C4'-P energy: -77.280
bonds (distance) P-C4' energy: -98.542
flat angles C4'-P-C4' energy: -81.974
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -82.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1039.047344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.047344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.047344 (E_RNA)
where:
Base-Base interactions energy: -657.511
where: short stacking energy: -306.047
Base-Backbone interact. energy: -0.639
local terms energy: -380.897868
where:
bonds (distance) C4'-P energy: -83.269
bonds (distance) P-C4' energy: -93.512
flat angles C4'-P-C4' energy: -86.429
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -57.997
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: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -826.883477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.883477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.883477 (E_RNA)
where:
Base-Base interactions energy: -516.188
where: short stacking energy: -236.615
Base-Backbone interact. energy: 8.454
local terms energy: -319.149652
where:
bonds (distance) C4'-P energy: -83.531
bonds (distance) P-C4' energy: -100.745
flat angles C4'-P-C4' energy: -82.945
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1920.748966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.748966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.748966 (E_RNA)
where:
Base-Base interactions energy: -1339.178
where: short stacking energy: -548.210
Base-Backbone interact. energy: -2.647
local terms energy: -578.924124
where:
bonds (distance) C4'-P energy: -116.687
bonds (distance) P-C4' energy: -105.176
flat angles C4'-P-C4' energy: -121.713
flat angles P-C4'-P energy: -79.361
tors. eta vs tors. theta energy: -155.988
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1752.924144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.924144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.924144 (E_RNA)
where:
Base-Base interactions energy: -1192.286
where: short stacking energy: -516.635
Base-Backbone interact. energy: -2.411
local terms energy: -558.227752
where:
bonds (distance) C4'-P energy: -102.258
bonds (distance) P-C4' energy: -115.576
flat angles C4'-P-C4' energy: -132.861
flat angles P-C4'-P energy: -68.942
tors. eta vs tors. theta energy: -138.590
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: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1792.434182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.434182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.434182 (E_RNA)
where:
Base-Base interactions energy: -1261.324
where: short stacking energy: -550.956
Base-Backbone interact. energy: -0.013
local terms energy: -531.096932
where:
bonds (distance) C4'-P energy: -93.883
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -121.236
flat angles P-C4'-P energy: -78.081
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1737.379034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.379034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.379034 (E_RNA)
where:
Base-Base interactions energy: -1211.996
where: short stacking energy: -493.804
Base-Backbone interact. energy: -0.151
local terms energy: -525.231479
where:
bonds (distance) C4'-P energy: -99.574
bonds (distance) P-C4' energy: -108.792
flat angles C4'-P-C4' energy: -116.430
flat angles P-C4'-P energy: -72.843
tors. eta vs tors. theta energy: -127.592
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: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1645.083230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.083230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.083230 (E_RNA)
where:
Base-Base interactions energy: -1171.490
where: short stacking energy: -469.504
Base-Backbone interact. energy: -3.489
local terms energy: -470.104119
where:
bonds (distance) C4'-P energy: -101.360
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -106.839
flat angles P-C4'-P energy: -58.089
tors. eta vs tors. theta energy: -112.436
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1564.950903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.950903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.950903 (E_RNA)
where:
Base-Base interactions energy: -1096.363
where: short stacking energy: -465.598
Base-Backbone interact. energy: -3.423
local terms energy: -465.164709
where:
bonds (distance) C4'-P energy: -89.437
bonds (distance) P-C4' energy: -95.128
flat angles C4'-P-C4' energy: -97.610
flat angles P-C4'-P energy: -62.937
tors. eta vs tors. theta energy: -120.052
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1348.046586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.046586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.046586 (E_RNA)
where:
Base-Base interactions energy: -907.488
where: short stacking energy: -391.466
Base-Backbone interact. energy: -3.463
local terms energy: -437.095891
where:
bonds (distance) C4'-P energy: -75.492
bonds (distance) P-C4' energy: -97.824
flat angles C4'-P-C4' energy: -100.979
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -103.866
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: 210
Temperature: 1.250000
Total energy: -1259.112097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.112097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.112097 (E_RNA)
where:
Base-Base interactions energy: -866.225
where: short stacking energy: -371.956
Base-Backbone interact. energy: 2.642
local terms energy: -395.529240
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -102.434
flat angles C4'-P-C4' energy: -86.900
flat angles P-C4'-P energy: -60.602
tors. eta vs tors. theta energy: -76.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1005.311475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.311475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.311475 (E_RNA)
where:
Base-Base interactions energy: -652.972
where: short stacking energy: -294.952
Base-Backbone interact. energy: 1.203
local terms energy: -353.542701
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -93.256
flat angles C4'-P-C4' energy: -87.862
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -856.673695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.673695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.673695 (E_RNA)
where:
Base-Base interactions energy: -535.931
where: short stacking energy: -250.970
Base-Backbone interact. energy: 1.011
local terms energy: -321.753224
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -70.677
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -53.313
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1947.894412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.894412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.894412 (E_RNA)
where:
Base-Base interactions energy: -1369.751
where: short stacking energy: -584.460
Base-Backbone interact. energy: -0.625
local terms energy: -577.518965
where:
bonds (distance) C4'-P energy: -107.802
bonds (distance) P-C4' energy: -109.513
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -76.289
tors. eta vs tors. theta energy: -166.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1859.308017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.308017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.308017 (E_RNA)
where:
Base-Base interactions energy: -1315.076
where: short stacking energy: -545.175
Base-Backbone interact. energy: -1.802
local terms energy: -542.430253
where:
bonds (distance) C4'-P energy: -102.800
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -117.851
flat angles P-C4'-P energy: -77.800
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1733.912848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.912848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.912848 (E_RNA)
where:
Base-Base interactions energy: -1192.183
where: short stacking energy: -522.046
Base-Backbone interact. energy: -1.923
local terms energy: -539.807245
where:
bonds (distance) C4'-P energy: -98.521
bonds (distance) P-C4' energy: -113.644
flat angles C4'-P-C4' energy: -104.210
flat angles P-C4'-P energy: -74.183
tors. eta vs tors. theta energy: -149.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1765.168784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.168784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.168784 (E_RNA)
where:
Base-Base interactions energy: -1242.525
where: short stacking energy: -517.000
Base-Backbone interact. energy: -0.509
local terms energy: -522.134670
where:
bonds (distance) C4'-P energy: -88.274
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -112.641
flat angles P-C4'-P energy: -83.854
tors. eta vs tors. theta energy: -145.353
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: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1656.068558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.068558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.068558 (E_RNA)
where:
Base-Base interactions energy: -1168.657
where: short stacking energy: -478.009
Base-Backbone interact. energy: 1.291
local terms energy: -488.702663
where:
bonds (distance) C4'-P energy: -98.092
bonds (distance) P-C4' energy: -91.110
flat angles C4'-P-C4' energy: -102.747
flat angles P-C4'-P energy: -80.422
tors. eta vs tors. theta energy: -116.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1614.408504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.408504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.408504 (E_RNA)
where:
Base-Base interactions energy: -1142.091
where: short stacking energy: -460.851
Base-Backbone interact. energy: 0.848
local terms energy: -473.166231
where:
bonds (distance) C4'-P energy: -78.554
bonds (distance) P-C4' energy: -95.729
flat angles C4'-P-C4' energy: -121.495
flat angles P-C4'-P energy: -63.209
tors. eta vs tors. theta energy: -114.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1425.142437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.142437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.142437 (E_RNA)
where:
Base-Base interactions energy: -1002.949
where: short stacking energy: -403.604
Base-Backbone interact. energy: -3.281
local terms energy: -418.912282
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -81.936
flat angles C4'-P-C4' energy: -103.618
flat angles P-C4'-P energy: -69.081
tors. eta vs tors. theta energy: -99.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1270.537183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.537183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.537183 (E_RNA)
where:
Base-Base interactions energy: -867.847
where: short stacking energy: -382.818
Base-Backbone interact. energy: -2.461
local terms energy: -400.228640
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -84.139
flat angles C4'-P-C4' energy: -90.945
flat angles P-C4'-P energy: -54.190
tors. eta vs tors. theta energy: -83.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1034.291369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.291369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.291369 (E_RNA)
where:
Base-Base interactions energy: -645.146
where: short stacking energy: -306.617
Base-Backbone interact. energy: -2.028
local terms energy: -387.116537
where:
bonds (distance) C4'-P energy: -98.000
bonds (distance) P-C4' energy: -82.347
flat angles C4'-P-C4' energy: -94.200
flat angles P-C4'-P energy: -52.017
tors. eta vs tors. theta energy: -60.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -854.562496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.562496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.562496 (E_RNA)
where:
Base-Base interactions energy: -493.834
where: short stacking energy: -228.093
Base-Backbone interact. energy: 5.401
local terms energy: -366.129475
where:
bonds (distance) C4'-P energy: -84.661
bonds (distance) P-C4' energy: -84.821
flat angles C4'-P-C4' energy: -92.483
flat angles P-C4'-P energy: -60.212
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1909.884418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.884418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.884418 (E_RNA)
where:
Base-Base interactions energy: -1323.373
where: short stacking energy: -562.393
Base-Backbone interact. energy: 1.267
local terms energy: -587.778801
where:
bonds (distance) C4'-P energy: -106.284
bonds (distance) P-C4' energy: -119.394
flat angles C4'-P-C4' energy: -121.745
flat angles P-C4'-P energy: -79.829
tors. eta vs tors. theta energy: -160.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1838.258178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.258178 (E_RNA)
where:
Base-Base interactions energy: -1291.394
where: short stacking energy: -546.456
Base-Backbone interact. energy: -3.856
local terms energy: -543.008396
where:
bonds (distance) C4'-P energy: -79.752
bonds (distance) P-C4' energy: -108.814
flat angles C4'-P-C4' energy: -119.659
flat angles P-C4'-P energy: -82.031
tors. eta vs tors. theta energy: -152.752
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: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1796.687306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.687306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.687306 (E_RNA)
where:
Base-Base interactions energy: -1264.836
where: short stacking energy: -517.146
Base-Backbone interact. energy: -1.497
local terms energy: -530.355050
where:
bonds (distance) C4'-P energy: -84.662
bonds (distance) P-C4' energy: -106.836
flat angles C4'-P-C4' energy: -118.950
flat angles P-C4'-P energy: -81.560
tors. eta vs tors. theta energy: -138.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1669.321445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.321445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.321445 (E_RNA)
where:
Base-Base interactions energy: -1170.518
where: short stacking energy: -481.860
Base-Backbone interact. energy: 3.087
local terms energy: -501.890143
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -92.031
flat angles C4'-P-C4' energy: -114.336
flat angles P-C4'-P energy: -64.477
tors. eta vs tors. theta energy: -133.204
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1680.879669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.879669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.879669 (E_RNA)
where:
Base-Base interactions energy: -1180.560
where: short stacking energy: -484.733
Base-Backbone interact. energy: -3.270
local terms energy: -497.049546
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -116.954
flat angles P-C4'-P energy: -69.302
tors. eta vs tors. theta energy: -126.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1635.760245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.760245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.760245 (E_RNA)
where:
Base-Base interactions energy: -1160.868
where: short stacking energy: -472.438
Base-Backbone interact. energy: -2.548
local terms energy: -472.345026
where:
bonds (distance) C4'-P energy: -83.981
bonds (distance) P-C4' energy: -82.827
flat angles C4'-P-C4' energy: -116.776
flat angles P-C4'-P energy: -71.739
tors. eta vs tors. theta energy: -117.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1423.910557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.910557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.910557 (E_RNA)
where:
Base-Base interactions energy: -973.334
where: short stacking energy: -408.955
Base-Backbone interact. energy: -3.220
local terms energy: -447.356994
where:
bonds (distance) C4'-P energy: -84.101
bonds (distance) P-C4' energy: -94.701
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -106.232
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: 212
Temperature: 1.250000
Total energy: -1289.937148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.937148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.937148 (E_RNA)
where:
Base-Base interactions energy: -865.447
where: short stacking energy: -362.597
Base-Backbone interact. energy: -0.132
local terms energy: -424.358257
where:
bonds (distance) C4'-P energy: -100.433
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -83.414
flat angles P-C4'-P energy: -65.796
tors. eta vs tors. theta energy: -79.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1013.605863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.605863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.605863 (E_RNA)
where:
Base-Base interactions energy: -621.810
where: short stacking energy: -300.215
Base-Backbone interact. energy: -0.010
local terms energy: -391.786174
where:
bonds (distance) C4'-P energy: -89.066
bonds (distance) P-C4' energy: -92.273
flat angles C4'-P-C4' energy: -103.679
flat angles P-C4'-P energy: -62.145
tors. eta vs tors. theta energy: -44.623
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: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -871.897238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.897238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.897238 (E_RNA)
where:
Base-Base interactions energy: -528.244
where: short stacking energy: -247.685
Base-Backbone interact. energy: 0.756
local terms energy: -344.409197
where:
bonds (distance) C4'-P energy: -88.909
bonds (distance) P-C4' energy: -98.732
flat angles C4'-P-C4' energy: -92.863
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -21.121
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: 213
Temperature: 0.900000
Total energy: -1908.791680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.791680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.791680 (E_RNA)
where:
Base-Base interactions energy: -1323.748
where: short stacking energy: -576.142
Base-Backbone interact. energy: -2.794
local terms energy: -582.249858
where:
bonds (distance) C4'-P energy: -108.664
bonds (distance) P-C4' energy: -108.375
flat angles C4'-P-C4' energy: -120.069
flat angles P-C4'-P energy: -80.303
tors. eta vs tors. theta energy: -164.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1863.325485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.325485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.325485 (E_RNA)
where:
Base-Base interactions energy: -1294.841
where: short stacking energy: -578.469
Base-Backbone interact. energy: -0.606
local terms energy: -567.878868
where:
bonds (distance) C4'-P energy: -105.632
bonds (distance) P-C4' energy: -109.282
flat angles C4'-P-C4' energy: -121.412
flat angles P-C4'-P energy: -70.446
tors. eta vs tors. theta energy: -161.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1809.664121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.664121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.664121 (E_RNA)
where:
Base-Base interactions energy: -1249.237
where: short stacking energy: -528.968
Base-Backbone interact. energy: -2.108
local terms energy: -558.319617
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -100.394
flat angles C4'-P-C4' energy: -117.305
flat angles P-C4'-P energy: -90.699
tors. eta vs tors. theta energy: -150.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1660.028061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.028061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.028061 (E_RNA)
where:
Base-Base interactions energy: -1145.998
where: short stacking energy: -482.043
Base-Backbone interact. energy: -2.116
local terms energy: -511.914078
where:
bonds (distance) C4'-P energy: -99.935
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -105.057
flat angles P-C4'-P energy: -73.311
tors. eta vs tors. theta energy: -137.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1680.602526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.602526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.602526 (E_RNA)
where:
Base-Base interactions energy: -1193.822
where: short stacking energy: -503.608
Base-Backbone interact. energy: -1.164
local terms energy: -485.616514
where:
bonds (distance) C4'-P energy: -80.312
bonds (distance) P-C4' energy: -90.242
flat angles C4'-P-C4' energy: -114.206
flat angles P-C4'-P energy: -80.509
tors. eta vs tors. theta energy: -120.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1582.571447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.571447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.571447 (E_RNA)
where:
Base-Base interactions energy: -1087.530
where: short stacking energy: -435.160
Base-Backbone interact. energy: -2.634
local terms energy: -492.406847
where:
bonds (distance) C4'-P energy: -106.426
bonds (distance) P-C4' energy: -96.880
flat angles C4'-P-C4' energy: -108.789
flat angles P-C4'-P energy: -74.349
tors. eta vs tors. theta energy: -105.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1423.304846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.304846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.304846 (E_RNA)
where:
Base-Base interactions energy: -944.281
where: short stacking energy: -401.780
Base-Backbone interact. energy: -3.729
local terms energy: -475.294437
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -97.737
flat angles C4'-P-C4' energy: -117.836
flat angles P-C4'-P energy: -74.054
tors. eta vs tors. theta energy: -102.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1302.504264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.504264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.504264 (E_RNA)
where:
Base-Base interactions energy: -879.922
where: short stacking energy: -385.627
Base-Backbone interact. energy: -0.667
local terms energy: -421.915263
where:
bonds (distance) C4'-P energy: -98.107
bonds (distance) P-C4' energy: -84.549
flat angles C4'-P-C4' energy: -93.618
flat angles P-C4'-P energy: -61.045
tors. eta vs tors. theta energy: -84.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1009.794924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.794924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.794924 (E_RNA)
where:
Base-Base interactions energy: -640.281
where: short stacking energy: -288.535
Base-Backbone interact. energy: 3.055
local terms energy: -372.569620
where:
bonds (distance) C4'-P energy: -96.346
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -90.121
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -38.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -832.727172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.727172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.727172 (E_RNA)
where:
Base-Base interactions energy: -540.084
where: short stacking energy: -241.056
Base-Backbone interact. energy: -2.349
local terms energy: -290.293975
where:
bonds (distance) C4'-P energy: -78.126
bonds (distance) P-C4' energy: -66.658
flat angles C4'-P-C4' energy: -84.039
flat angles P-C4'-P energy: -42.661
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: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1925.994531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.994531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.994531 (E_RNA)
where:
Base-Base interactions energy: -1338.809
where: short stacking energy: -562.799
Base-Backbone interact. energy: -0.873
local terms energy: -586.312334
where:
bonds (distance) C4'-P energy: -111.592
bonds (distance) P-C4' energy: -99.962
flat angles C4'-P-C4' energy: -126.860
flat angles P-C4'-P energy: -82.513
tors. eta vs tors. theta energy: -165.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1879.229018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.229018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.229018 (E_RNA)
where:
Base-Base interactions energy: -1297.434
where: short stacking energy: -551.267
Base-Backbone interact. energy: -1.461
local terms energy: -580.333959
where:
bonds (distance) C4'-P energy: -106.625
bonds (distance) P-C4' energy: -96.661
flat angles C4'-P-C4' energy: -123.963
flat angles P-C4'-P energy: -90.539
tors. eta vs tors. theta energy: -162.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1826.901845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.901845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.901845 (E_RNA)
where:
Base-Base interactions energy: -1268.063
where: short stacking energy: -532.854
Base-Backbone interact. energy: -4.018
local terms energy: -554.820519
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -102.823
flat angles C4'-P-C4' energy: -129.344
flat angles P-C4'-P energy: -78.877
tors. eta vs tors. theta energy: -144.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1680.717692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.717692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.717692 (E_RNA)
where:
Base-Base interactions energy: -1152.069
where: short stacking energy: -499.743
Base-Backbone interact. energy: -2.156
local terms energy: -526.493554
where:
bonds (distance) C4'-P energy: -91.224
bonds (distance) P-C4' energy: -111.273
flat angles C4'-P-C4' energy: -110.695
flat angles P-C4'-P energy: -70.064
tors. eta vs tors. theta energy: -143.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1690.249437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.249437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.249437 (E_RNA)
where:
Base-Base interactions energy: -1194.765
where: short stacking energy: -500.638
Base-Backbone interact. energy: -1.868
local terms energy: -493.616586
where:
bonds (distance) C4'-P energy: -100.227
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -104.433
flat angles P-C4'-P energy: -72.974
tors. eta vs tors. theta energy: -123.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1603.904514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.904514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.904514 (E_RNA)
where:
Base-Base interactions energy: -1101.401
where: short stacking energy: -460.646
Base-Backbone interact. energy: -1.932
local terms energy: -500.571412
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -90.250
flat angles C4'-P-C4' energy: -115.192
flat angles P-C4'-P energy: -74.571
tors. eta vs tors. theta energy: -117.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1329.317364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.317364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.317364 (E_RNA)
where:
Base-Base interactions energy: -899.190
where: short stacking energy: -418.628
Base-Backbone interact. energy: -1.376
local terms energy: -428.751337
where:
bonds (distance) C4'-P energy: -91.225
bonds (distance) P-C4' energy: -96.258
flat angles C4'-P-C4' energy: -99.341
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -91.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1327.699232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.699232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.699232 (E_RNA)
where:
Base-Base interactions energy: -895.221
where: short stacking energy: -365.680
Base-Backbone interact. energy: -0.223
local terms energy: -432.255242
where:
bonds (distance) C4'-P energy: -87.722
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -98.872
flat angles P-C4'-P energy: -76.930
tors. eta vs tors. theta energy: -84.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1019.587770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.587770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.587770 (E_RNA)
where:
Base-Base interactions energy: -674.121
where: short stacking energy: -277.083
Base-Backbone interact. energy: 2.896
local terms energy: -348.363106
where:
bonds (distance) C4'-P energy: -83.174
bonds (distance) P-C4' energy: -95.447
flat angles C4'-P-C4' energy: -83.327
flat angles P-C4'-P energy: -47.788
tors. eta vs tors. theta energy: -38.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -775.781206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.781206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.781206 (E_RNA)
where:
Base-Base interactions energy: -472.330
where: short stacking energy: -217.881
Base-Backbone interact. energy: 4.413
local terms energy: -307.864097
where:
bonds (distance) C4'-P energy: -88.678
bonds (distance) P-C4' energy: -96.329
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1916.157934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.157934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.157934 (E_RNA)
where:
Base-Base interactions energy: -1330.496
where: short stacking energy: -579.621
Base-Backbone interact. energy: -1.467
local terms energy: -584.194341
where:
bonds (distance) C4'-P energy: -100.469
bonds (distance) P-C4' energy: -109.582
flat angles C4'-P-C4' energy: -127.873
flat angles P-C4'-P energy: -91.945
tors. eta vs tors. theta energy: -154.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1855.024046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.024046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.024046 (E_RNA)
where:
Base-Base interactions energy: -1285.224
where: short stacking energy: -556.490
Base-Backbone interact. energy: 1.454
local terms energy: -571.254660
where:
bonds (distance) C4'-P energy: -107.282
bonds (distance) P-C4' energy: -87.218
flat angles C4'-P-C4' energy: -133.471
flat angles P-C4'-P energy: -81.022
tors. eta vs tors. theta energy: -162.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1791.645352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.645352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.645352 (E_RNA)
where:
Base-Base interactions energy: -1258.498
where: short stacking energy: -518.546
Base-Backbone interact. energy: -1.014
local terms energy: -532.132809
where:
bonds (distance) C4'-P energy: -102.368
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -102.383
flat angles P-C4'-P energy: -90.440
tors. eta vs tors. theta energy: -148.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1674.952186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.952186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.952186 (E_RNA)
where:
Base-Base interactions energy: -1143.788
where: short stacking energy: -491.765
Base-Backbone interact. energy: -0.343
local terms energy: -530.821548
where:
bonds (distance) C4'-P energy: -96.790
bonds (distance) P-C4' energy: -115.366
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -67.794
tors. eta vs tors. theta energy: -134.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1635.812733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.812733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.812733 (E_RNA)
where:
Base-Base interactions energy: -1153.282
where: short stacking energy: -477.481
Base-Backbone interact. energy: -3.122
local terms energy: -479.408628
where:
bonds (distance) C4'-P energy: -91.428
bonds (distance) P-C4' energy: -86.772
flat angles C4'-P-C4' energy: -111.973
flat angles P-C4'-P energy: -65.523
tors. eta vs tors. theta energy: -123.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1590.328177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.328177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.328177 (E_RNA)
where:
Base-Base interactions energy: -1109.885
where: short stacking energy: -461.759
Base-Backbone interact. energy: -0.676
local terms energy: -479.766945
where:
bonds (distance) C4'-P energy: -94.394
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -107.700
flat angles P-C4'-P energy: -67.991
tors. eta vs tors. theta energy: -110.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1361.975791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.975791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.975791 (E_RNA)
where:
Base-Base interactions energy: -918.109
where: short stacking energy: -414.841
Base-Backbone interact. energy: 1.969
local terms energy: -445.835539
where:
bonds (distance) C4'-P energy: -71.461
bonds (distance) P-C4' energy: -91.546
flat angles C4'-P-C4' energy: -105.014
flat angles P-C4'-P energy: -74.930
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1277.268155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.268155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.268155 (E_RNA)
where:
Base-Base interactions energy: -888.608
where: short stacking energy: -376.293
Base-Backbone interact. energy: 5.429
local terms energy: -394.088835
where:
bonds (distance) C4'-P energy: -73.910
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -91.165
flat angles P-C4'-P energy: -56.836
tors. eta vs tors. theta energy: -82.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1037.448663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.448663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.448663 (E_RNA)
where:
Base-Base interactions energy: -659.428
where: short stacking energy: -278.693
Base-Backbone interact. energy: 0.366
local terms energy: -378.387047
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -93.583
flat angles P-C4'-P energy: -64.204
tors. eta vs tors. theta energy: -57.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -871.801967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.801967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.801967 (E_RNA)
where:
Base-Base interactions energy: -549.731
where: short stacking energy: -279.100
Base-Backbone interact. energy: 5.669
local terms energy: -327.739947
where:
bonds (distance) C4'-P energy: -75.567
bonds (distance) P-C4' energy: -82.513
flat angles C4'-P-C4' energy: -87.626
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -44.464
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: 216
Temperature: 0.900000
Total energy: -1884.967150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.967150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.967150 (E_RNA)
where:
Base-Base interactions energy: -1303.624
where: short stacking energy: -549.514
Base-Backbone interact. energy: -3.656
local terms energy: -577.687883
where:
bonds (distance) C4'-P energy: -106.735
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -119.333
flat angles P-C4'-P energy: -85.529
tors. eta vs tors. theta energy: -149.492
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: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1892.064200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.064200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.064200 (E_RNA)
where:
Base-Base interactions energy: -1330.340
where: short stacking energy: -560.592
Base-Backbone interact. energy: -2.921
local terms energy: -558.803595
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -105.871
flat angles C4'-P-C4' energy: -117.282
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -159.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1825.231809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.231809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.231809 (E_RNA)
where:
Base-Base interactions energy: -1274.306
where: short stacking energy: -549.455
Base-Backbone interact. energy: -2.659
local terms energy: -548.266245
where:
bonds (distance) C4'-P energy: -99.326
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -122.618
flat angles P-C4'-P energy: -73.369
tors. eta vs tors. theta energy: -154.744
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: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1699.114752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.114752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.114752 (E_RNA)
where:
Base-Base interactions energy: -1190.592
where: short stacking energy: -491.884
Base-Backbone interact. energy: -1.376
local terms energy: -507.146241
where:
bonds (distance) C4'-P energy: -97.442
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -72.269
tors. eta vs tors. theta energy: -135.297
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: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1630.176852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.176852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.176852 (E_RNA)
where:
Base-Base interactions energy: -1115.879
where: short stacking energy: -464.722
Base-Backbone interact. energy: 0.491
local terms energy: -514.788587
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -93.084
flat angles C4'-P-C4' energy: -124.540
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -134.692
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: 216
Temperature: 1.150000
Total energy: -1655.970180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.970180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.970180 (E_RNA)
where:
Base-Base interactions energy: -1166.717
where: short stacking energy: -470.063
Base-Backbone interact. energy: -0.357
local terms energy: -488.895600
where:
bonds (distance) C4'-P energy: -77.272
bonds (distance) P-C4' energy: -110.153
flat angles C4'-P-C4' energy: -116.994
flat angles P-C4'-P energy: -69.336
tors. eta vs tors. theta energy: -115.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1325.123642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.123642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.123642 (E_RNA)
where:
Base-Base interactions energy: -886.101
where: short stacking energy: -396.746
Base-Backbone interact. energy: -1.923
local terms energy: -437.099543
where:
bonds (distance) C4'-P energy: -83.740
bonds (distance) P-C4' energy: -104.593
flat angles C4'-P-C4' energy: -100.319
flat angles P-C4'-P energy: -59.532
tors. eta vs tors. theta energy: -88.916
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1339.868420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.868420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.868420 (E_RNA)
where:
Base-Base interactions energy: -894.774
where: short stacking energy: -382.214
Base-Backbone interact. energy: -3.996
local terms energy: -441.098304
where:
bonds (distance) C4'-P energy: -86.058
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -100.606
flat angles P-C4'-P energy: -69.472
tors. eta vs tors. theta energy: -94.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1016.152174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.152174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.152174 (E_RNA)
where:
Base-Base interactions energy: -625.363
where: short stacking energy: -268.229
Base-Backbone interact. energy: -1.576
local terms energy: -389.212855
where:
bonds (distance) C4'-P energy: -87.093
bonds (distance) P-C4' energy: -88.710
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -59.699
tors. eta vs tors. theta energy: -54.507
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: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -821.135762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.135762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.135762 (E_RNA)
where:
Base-Base interactions energy: -481.250
where: short stacking energy: -230.048
Base-Backbone interact. energy: -2.618
local terms energy: -337.267401
where:
bonds (distance) C4'-P energy: -77.570
bonds (distance) P-C4' energy: -90.151
flat angles C4'-P-C4' energy: -85.022
flat angles P-C4'-P energy: -52.330
tors. eta vs tors. theta energy: -32.195
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: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1896.099282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.099282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.099282 (E_RNA)
where:
Base-Base interactions energy: -1311.504
where: short stacking energy: -540.555
Base-Backbone interact. energy: -2.686
local terms energy: -581.908664
where:
bonds (distance) C4'-P energy: -100.416
bonds (distance) P-C4' energy: -118.806
flat angles C4'-P-C4' energy: -122.533
flat angles P-C4'-P energy: -78.415
tors. eta vs tors. theta energy: -161.739
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1876.694601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.694601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.694601 (E_RNA)
where:
Base-Base interactions energy: -1330.973
where: short stacking energy: -568.308
Base-Backbone interact. energy: 1.182
local terms energy: -546.903630
where:
bonds (distance) C4'-P energy: -105.241
bonds (distance) P-C4' energy: -96.270
flat angles C4'-P-C4' energy: -119.848
flat angles P-C4'-P energy: -78.347
tors. eta vs tors. theta energy: -147.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1795.052926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.052926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.052926 (E_RNA)
where:
Base-Base interactions energy: -1257.261
where: short stacking energy: -502.491
Base-Backbone interact. energy: -0.964
local terms energy: -536.827823
where:
bonds (distance) C4'-P energy: -106.903
bonds (distance) P-C4' energy: -102.127
flat angles C4'-P-C4' energy: -116.075
flat angles P-C4'-P energy: -72.097
tors. eta vs tors. theta energy: -139.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1694.359274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.359274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.359274 (E_RNA)
where:
Base-Base interactions energy: -1181.515
where: short stacking energy: -502.762
Base-Backbone interact. energy: 1.826
local terms energy: -514.669539
where:
bonds (distance) C4'-P energy: -85.787
bonds (distance) P-C4' energy: -111.581
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -133.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1610.249355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.249355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.249355 (E_RNA)
where:
Base-Base interactions energy: -1119.861
where: short stacking energy: -469.070
Base-Backbone interact. energy: 1.253
local terms energy: -491.640955
where:
bonds (distance) C4'-P energy: -83.752
bonds (distance) P-C4' energy: -96.343
flat angles C4'-P-C4' energy: -112.554
flat angles P-C4'-P energy: -80.189
tors. eta vs tors. theta energy: -118.802
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: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1619.382708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.382708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.382708 (E_RNA)
where:
Base-Base interactions energy: -1150.143
where: short stacking energy: -462.988
Base-Backbone interact. energy: -0.756
local terms energy: -468.483932
where:
bonds (distance) C4'-P energy: -96.355
bonds (distance) P-C4' energy: -85.776
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: -119.169
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: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1340.980611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.980611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.980611 (E_RNA)
where:
Base-Base interactions energy: -911.285
where: short stacking energy: -395.826
Base-Backbone interact. energy: -0.588
local terms energy: -429.107526
where:
bonds (distance) C4'-P energy: -84.295
bonds (distance) P-C4' energy: -86.632
flat angles C4'-P-C4' energy: -92.253
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -100.076
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: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1338.001705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.001705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.001705 (E_RNA)
where:
Base-Base interactions energy: -889.490
where: short stacking energy: -399.555
Base-Backbone interact. energy: -1.974
local terms energy: -446.537149
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -97.674
flat angles C4'-P-C4' energy: -92.915
flat angles P-C4'-P energy: -64.345
tors. eta vs tors. theta energy: -96.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -967.296570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.296570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.296570 (E_RNA)
where:
Base-Base interactions energy: -622.001
where: short stacking energy: -271.203
Base-Backbone interact. energy: -0.141
local terms energy: -345.153779
where:
bonds (distance) C4'-P energy: -75.277
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -77.966
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -38.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -843.468921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.468921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.468921 (E_RNA)
where:
Base-Base interactions energy: -526.063
where: short stacking energy: -248.618
Base-Backbone interact. energy: -1.041
local terms energy: -316.364977
where:
bonds (distance) C4'-P energy: -68.903
bonds (distance) P-C4' energy: -91.849
flat angles C4'-P-C4' energy: -79.560
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1921.444817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.444817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.444817 (E_RNA)
where:
Base-Base interactions energy: -1354.083
where: short stacking energy: -575.638
Base-Backbone interact. energy: -1.865
local terms energy: -565.496638
where:
bonds (distance) C4'-P energy: -109.214
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -121.961
flat angles P-C4'-P energy: -81.129
tors. eta vs tors. theta energy: -148.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1866.049263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.049263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.049263 (E_RNA)
where:
Base-Base interactions energy: -1302.650
where: short stacking energy: -538.136
Base-Backbone interact. energy: 1.416
local terms energy: -564.814613
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -116.661
flat angles P-C4'-P energy: -85.257
tors. eta vs tors. theta energy: -150.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1800.638624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.638624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.638624 (E_RNA)
where:
Base-Base interactions energy: -1269.536
where: short stacking energy: -520.118
Base-Backbone interact. energy: -0.282
local terms energy: -530.820711
where:
bonds (distance) C4'-P energy: -83.760
bonds (distance) P-C4' energy: -103.431
flat angles C4'-P-C4' energy: -126.536
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -142.738
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1684.087964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.087964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.087964 (E_RNA)
where:
Base-Base interactions energy: -1165.675
where: short stacking energy: -479.909
Base-Backbone interact. energy: -0.592
local terms energy: -517.820833
where:
bonds (distance) C4'-P energy: -89.706
bonds (distance) P-C4' energy: -88.677
flat angles C4'-P-C4' energy: -124.083
flat angles P-C4'-P energy: -84.418
tors. eta vs tors. theta energy: -130.937
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: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1668.082406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.082406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.082406 (E_RNA)
where:
Base-Base interactions energy: -1173.660
where: short stacking energy: -495.076
Base-Backbone interact. energy: -0.884
local terms energy: -493.538310
where:
bonds (distance) C4'-P energy: -90.133
bonds (distance) P-C4' energy: -81.381
flat angles C4'-P-C4' energy: -122.149
flat angles P-C4'-P energy: -74.212
tors. eta vs tors. theta energy: -125.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1571.163880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.163880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.163880 (E_RNA)
where:
Base-Base interactions energy: -1063.385
where: short stacking energy: -442.753
Base-Backbone interact. energy: -1.478
local terms energy: -506.300746
where:
bonds (distance) C4'-P energy: -96.399
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -118.418
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -117.415
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1299.541663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.541663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.541663 (E_RNA)
where:
Base-Base interactions energy: -838.419
where: short stacking energy: -398.100
Base-Backbone interact. energy: 0.779
local terms energy: -461.901992
where:
bonds (distance) C4'-P energy: -87.525
bonds (distance) P-C4' energy: -96.995
flat angles C4'-P-C4' energy: -103.487
flat angles P-C4'-P energy: -73.921
tors. eta vs tors. theta energy: -99.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1326.551269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.551269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.551269 (E_RNA)
where:
Base-Base interactions energy: -907.451
where: short stacking energy: -390.520
Base-Backbone interact. energy: -0.353
local terms energy: -418.747766
where:
bonds (distance) C4'-P energy: -80.385
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -104.831
flat angles P-C4'-P energy: -61.231
tors. eta vs tors. theta energy: -72.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -962.545468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.545468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.545468 (E_RNA)
where:
Base-Base interactions energy: -618.853
where: short stacking energy: -271.904
Base-Backbone interact. energy: -2.749
local terms energy: -340.943406
where:
bonds (distance) C4'-P energy: -74.240
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -85.293
flat angles P-C4'-P energy: -58.236
tors. eta vs tors. theta energy: -36.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -862.725318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.725318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.725318 (E_RNA)
where:
Base-Base interactions energy: -530.916
where: short stacking energy: -259.184
Base-Backbone interact. energy: -2.123
local terms energy: -329.685876
where:
bonds (distance) C4'-P energy: -79.890
bonds (distance) P-C4' energy: -93.444
flat angles C4'-P-C4' energy: -70.232
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -33.813
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: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1942.109550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.109550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.109550 (E_RNA)
where:
Base-Base interactions energy: -1363.040
where: short stacking energy: -580.626
Base-Backbone interact. energy: 0.454
local terms energy: -579.524273
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -112.105
flat angles C4'-P-C4' energy: -122.885
flat angles P-C4'-P energy: -88.020
tors. eta vs tors. theta energy: -162.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1852.043845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.043845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.043845 (E_RNA)
where:
Base-Base interactions energy: -1306.208
where: short stacking energy: -553.191
Base-Backbone interact. energy: -1.079
local terms energy: -544.756794
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -110.742
flat angles C4'-P-C4' energy: -111.543
flat angles P-C4'-P energy: -82.485
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: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1802.668324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.668324 (E_RNA)
where:
Base-Base interactions energy: -1277.315
where: short stacking energy: -539.729
Base-Backbone interact. energy: 2.498
local terms energy: -527.851742
where:
bonds (distance) C4'-P energy: -90.316
bonds (distance) P-C4' energy: -98.127
flat angles C4'-P-C4' energy: -119.039
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -143.179
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: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1681.449961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.449961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.449961 (E_RNA)
where:
Base-Base interactions energy: -1161.071
where: short stacking energy: -489.341
Base-Backbone interact. energy: -1.662
local terms energy: -518.716772
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -98.113
flat angles C4'-P-C4' energy: -116.979
flat angles P-C4'-P energy: -83.166
tors. eta vs tors. theta energy: -127.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1652.996010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.996010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.996010 (E_RNA)
where:
Base-Base interactions energy: -1173.404
where: short stacking energy: -461.284
Base-Backbone interact. energy: -3.276
local terms energy: -476.315982
where:
bonds (distance) C4'-P energy: -82.260
bonds (distance) P-C4' energy: -94.242
flat angles C4'-P-C4' energy: -109.381
flat angles P-C4'-P energy: -76.259
tors. eta vs tors. theta energy: -114.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1520.442507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.442507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.442507 (E_RNA)
where:
Base-Base interactions energy: -1055.760
where: short stacking energy: -405.156
Base-Backbone interact. energy: -0.712
local terms energy: -463.970777
where:
bonds (distance) C4'-P energy: -84.739
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: -95.958
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1305.603127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.603127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.603127 (E_RNA)
where:
Base-Base interactions energy: -848.262
where: short stacking energy: -371.718
Base-Backbone interact. energy: -1.721
local terms energy: -455.619714
where:
bonds (distance) C4'-P energy: -101.575
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -96.616
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: -94.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1277.678944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.678944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.678944 (E_RNA)
where:
Base-Base interactions energy: -883.853
where: short stacking energy: -349.317
Base-Backbone interact. energy: -0.959
local terms energy: -392.866109
where:
bonds (distance) C4'-P energy: -83.160
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -101.567
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -70.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1031.540672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.540672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.540672 (E_RNA)
where:
Base-Base interactions energy: -658.816
where: short stacking energy: -296.285
Base-Backbone interact. energy: 2.109
local terms energy: -374.833616
where:
bonds (distance) C4'-P energy: -104.168
bonds (distance) P-C4' energy: -77.607
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -51.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -798.557038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.557038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.557038 (E_RNA)
where:
Base-Base interactions energy: -501.960
where: short stacking energy: -227.929
Base-Backbone interact. energy: 5.013
local terms energy: -301.609992
where:
bonds (distance) C4'-P energy: -69.307
bonds (distance) P-C4' energy: -80.619
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -22.552
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1912.926145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.926145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.926145 (E_RNA)
where:
Base-Base interactions energy: -1342.875
where: short stacking energy: -565.225
Base-Backbone interact. energy: -3.837
local terms energy: -566.213685
where:
bonds (distance) C4'-P energy: -109.461
bonds (distance) P-C4' energy: -100.469
flat angles C4'-P-C4' energy: -117.062
flat angles P-C4'-P energy: -88.562
tors. eta vs tors. theta energy: -150.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1838.832276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.832276 (E_RNA)
where:
Base-Base interactions energy: -1271.122
where: short stacking energy: -530.052
Base-Backbone interact. energy: -0.563
local terms energy: -567.147103
where:
bonds (distance) C4'-P energy: -104.162
bonds (distance) P-C4' energy: -111.001
flat angles C4'-P-C4' energy: -120.418
flat angles P-C4'-P energy: -83.790
tors. eta vs tors. theta energy: -147.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1797.420444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.420444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.420444 (E_RNA)
where:
Base-Base interactions energy: -1269.431
where: short stacking energy: -541.017
Base-Backbone interact. energy: -2.393
local terms energy: -525.596597
where:
bonds (distance) C4'-P energy: -96.873
bonds (distance) P-C4' energy: -98.132
flat angles C4'-P-C4' energy: -121.091
flat angles P-C4'-P energy: -68.675
tors. eta vs tors. theta energy: -140.826
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: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1725.728269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.728269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.728269 (E_RNA)
where:
Base-Base interactions energy: -1200.882
where: short stacking energy: -520.877
Base-Backbone interact. energy: -1.698
local terms energy: -523.147790
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -106.507
flat angles C4'-P-C4' energy: -114.413
flat angles P-C4'-P energy: -70.629
tors. eta vs tors. theta energy: -135.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1635.853667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.853667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.853667 (E_RNA)
where:
Base-Base interactions energy: -1156.302
where: short stacking energy: -493.667
Base-Backbone interact. energy: -3.436
local terms energy: -476.116073
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -92.627
flat angles C4'-P-C4' energy: -110.823
flat angles P-C4'-P energy: -59.774
tors. eta vs tors. theta energy: -129.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1470.682033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.682033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.682033 (E_RNA)
where:
Base-Base interactions energy: -1024.954
where: short stacking energy: -421.857
Base-Backbone interact. energy: -3.422
local terms energy: -442.306506
where:
bonds (distance) C4'-P energy: -91.177
bonds (distance) P-C4' energy: -83.424
flat angles C4'-P-C4' energy: -101.279
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -103.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1367.837855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.837855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.837855 (E_RNA)
where:
Base-Base interactions energy: -934.378
where: short stacking energy: -395.632
Base-Backbone interact. energy: 5.562
local terms energy: -439.022498
where:
bonds (distance) C4'-P energy: -99.564
bonds (distance) P-C4' energy: -86.173
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -60.263
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1307.967818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.967818 (E_RNA)
where:
Base-Base interactions energy: -914.856
where: short stacking energy: -405.641
Base-Backbone interact. energy: -1.179
local terms energy: -391.932595
where:
bonds (distance) C4'-P energy: -81.483
bonds (distance) P-C4' energy: -75.160
flat angles C4'-P-C4' energy: -96.530
flat angles P-C4'-P energy: -55.425
tors. eta vs tors. theta energy: -83.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1017.956088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.956088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.956088 (E_RNA)
where:
Base-Base interactions energy: -635.260
where: short stacking energy: -305.840
Base-Backbone interact. energy: -1.432
local terms energy: -381.263693
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -94.190
flat angles C4'-P-C4' energy: -84.468
flat angles P-C4'-P energy: -68.193
tors. eta vs tors. theta energy: -49.537
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -803.821045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.821045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.821045 (E_RNA)
where:
Base-Base interactions energy: -448.475
where: short stacking energy: -221.169
Base-Backbone interact. energy: -0.400
local terms energy: -354.945675
where:
bonds (distance) C4'-P energy: -81.617
bonds (distance) P-C4' energy: -98.203
flat angles C4'-P-C4' energy: -94.306
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1942.798577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.798577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.798577 (E_RNA)
where:
Base-Base interactions energy: -1344.490
where: short stacking energy: -546.249
Base-Backbone interact. energy: -2.211
local terms energy: -596.097249
where:
bonds (distance) C4'-P energy: -121.170
bonds (distance) P-C4' energy: -119.664
flat angles C4'-P-C4' energy: -120.778
flat angles P-C4'-P energy: -83.663
tors. eta vs tors. theta energy: -150.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1823.879073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.879073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.879073 (E_RNA)
where:
Base-Base interactions energy: -1258.542
where: short stacking energy: -528.877
Base-Backbone interact. energy: -0.808
local terms energy: -564.528878
where:
bonds (distance) C4'-P energy: -93.830
bonds (distance) P-C4' energy: -112.202
flat angles C4'-P-C4' energy: -119.484
flat angles P-C4'-P energy: -90.417
tors. eta vs tors. theta energy: -148.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1786.415659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.415659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.415659 (E_RNA)
where:
Base-Base interactions energy: -1245.593
where: short stacking energy: -503.505
Base-Backbone interact. energy: -4.322
local terms energy: -536.500987
where:
bonds (distance) C4'-P energy: -89.187
bonds (distance) P-C4' energy: -105.651
flat angles C4'-P-C4' energy: -120.100
flat angles P-C4'-P energy: -80.178
tors. eta vs tors. theta energy: -141.385
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: 221
Temperature: 1.050000
Total energy: -1710.754384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.754384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.754384 (E_RNA)
where:
Base-Base interactions energy: -1212.018
where: short stacking energy: -502.405
Base-Backbone interact. energy: -1.115
local terms energy: -497.621753
where:
bonds (distance) C4'-P energy: -86.576
bonds (distance) P-C4' energy: -100.344
flat angles C4'-P-C4' energy: -108.517
flat angles P-C4'-P energy: -68.040
tors. eta vs tors. theta energy: -134.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1674.285205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.285205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.285205 (E_RNA)
where:
Base-Base interactions energy: -1184.154
where: short stacking energy: -473.358
Base-Backbone interact. energy: 7.922
local terms energy: -498.053822
where:
bonds (distance) C4'-P energy: -98.710
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -110.269
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -115.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1530.734901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.734901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.734901 (E_RNA)
where:
Base-Base interactions energy: -1087.367
where: short stacking energy: -473.557
Base-Backbone interact. energy: -2.048
local terms energy: -441.320088
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -79.002
flat angles C4'-P-C4' energy: -107.296
flat angles P-C4'-P energy: -65.346
tors. eta vs tors. theta energy: -120.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1312.853913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.853913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.853913 (E_RNA)
where:
Base-Base interactions energy: -882.284
where: short stacking energy: -386.136
Base-Backbone interact. energy: 0.153
local terms energy: -430.722654
where:
bonds (distance) C4'-P energy: -82.940
bonds (distance) P-C4' energy: -106.465
flat angles C4'-P-C4' energy: -97.808
flat angles P-C4'-P energy: -54.452
tors. eta vs tors. theta energy: -89.057
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: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1326.022083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.022083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.022083 (E_RNA)
where:
Base-Base interactions energy: -883.033
where: short stacking energy: -370.251
Base-Backbone interact. energy: -0.748
local terms energy: -442.240735
where:
bonds (distance) C4'-P energy: -78.741
bonds (distance) P-C4' energy: -84.318
flat angles C4'-P-C4' energy: -103.718
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -98.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1005.495207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.495207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.495207 (E_RNA)
where:
Base-Base interactions energy: -628.864
where: short stacking energy: -302.815
Base-Backbone interact. energy: -0.572
local terms energy: -376.058775
where:
bonds (distance) C4'-P energy: -80.880
bonds (distance) P-C4' energy: -98.643
flat angles C4'-P-C4' energy: -83.964
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -50.899
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -764.429296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.429296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.429296 (E_RNA)
where:
Base-Base interactions energy: -476.583
where: short stacking energy: -249.191
Base-Backbone interact. energy: 3.681
local terms energy: -291.527313
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -66.546
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1901.227047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.227047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.227047 (E_RNA)
where:
Base-Base interactions energy: -1315.569
where: short stacking energy: -554.642
Base-Backbone interact. energy: -5.255
local terms energy: -580.403008
where:
bonds (distance) C4'-P energy: -101.387
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -83.006
tors. eta vs tors. theta energy: -157.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1808.013739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.013739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.013739 (E_RNA)
where:
Base-Base interactions energy: -1265.833
where: short stacking energy: -533.612
Base-Backbone interact. energy: -4.534
local terms energy: -537.646868
where:
bonds (distance) C4'-P energy: -92.329
bonds (distance) P-C4' energy: -101.971
flat angles C4'-P-C4' energy: -128.034
flat angles P-C4'-P energy: -75.671
tors. eta vs tors. theta energy: -139.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1776.523344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.523344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.523344 (E_RNA)
where:
Base-Base interactions energy: -1246.800
where: short stacking energy: -509.923
Base-Backbone interact. energy: -2.853
local terms energy: -526.870226
where:
bonds (distance) C4'-P energy: -94.147
bonds (distance) P-C4' energy: -101.217
flat angles C4'-P-C4' energy: -115.774
flat angles P-C4'-P energy: -80.583
tors. eta vs tors. theta energy: -135.149
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1689.906157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.906157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.906157 (E_RNA)
where:
Base-Base interactions energy: -1192.081
where: short stacking energy: -500.337
Base-Backbone interact. energy: 4.120
local terms energy: -501.945209
where:
bonds (distance) C4'-P energy: -96.690
bonds (distance) P-C4' energy: -97.861
flat angles C4'-P-C4' energy: -103.962
flat angles P-C4'-P energy: -78.176
tors. eta vs tors. theta energy: -125.256
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1665.270523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.270523 (E_RNA)
where:
Base-Base interactions energy: -1162.020
where: short stacking energy: -469.502
Base-Backbone interact. energy: -2.054
local terms energy: -501.196236
where:
bonds (distance) C4'-P energy: -97.980
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -114.120
flat angles P-C4'-P energy: -69.116
tors. eta vs tors. theta energy: -120.076
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: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1528.294291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.294291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.294291 (E_RNA)
where:
Base-Base interactions energy: -1058.825
where: short stacking energy: -468.141
Base-Backbone interact. energy: -1.558
local terms energy: -467.911031
where:
bonds (distance) C4'-P energy: -100.742
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -98.620
flat angles P-C4'-P energy: -67.332
tors. eta vs tors. theta energy: -127.339
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1323.050410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.050410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.050410 (E_RNA)
where:
Base-Base interactions energy: -869.609
where: short stacking energy: -377.648
Base-Backbone interact. energy: -1.607
local terms energy: -451.833741
where:
bonds (distance) C4'-P energy: -97.137
bonds (distance) P-C4' energy: -97.629
flat angles C4'-P-C4' energy: -100.466
flat angles P-C4'-P energy: -65.460
tors. eta vs tors. theta energy: -91.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1272.222914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.222914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.222914 (E_RNA)
where:
Base-Base interactions energy: -825.058
where: short stacking energy: -336.553
Base-Backbone interact. energy: -0.323
local terms energy: -446.842535
where:
bonds (distance) C4'-P energy: -92.809
bonds (distance) P-C4' energy: -101.011
flat angles C4'-P-C4' energy: -101.115
flat angles P-C4'-P energy: -76.447
tors. eta vs tors. theta energy: -75.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -986.156193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.156193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.156193 (E_RNA)
where:
Base-Base interactions energy: -623.307
where: short stacking energy: -287.235
Base-Backbone interact. energy: 1.377
local terms energy: -364.226597
where:
bonds (distance) C4'-P energy: -90.105
bonds (distance) P-C4' energy: -82.500
flat angles C4'-P-C4' energy: -86.874
flat angles P-C4'-P energy: -62.927
tors. eta vs tors. theta energy: -41.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -805.135871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.135871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.135871 (E_RNA)
where:
Base-Base interactions energy: -490.347
where: short stacking energy: -224.801
Base-Backbone interact. energy: 1.423
local terms energy: -316.212178
where:
bonds (distance) C4'-P energy: -70.892
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -101.081
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -23.269
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: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1886.193227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.193227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.193227 (E_RNA)
where:
Base-Base interactions energy: -1327.783
where: short stacking energy: -548.697
Base-Backbone interact. energy: 0.408
local terms energy: -558.818994
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -112.549
flat angles C4'-P-C4' energy: -127.691
flat angles P-C4'-P energy: -78.438
tors. eta vs tors. theta energy: -144.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1853.511237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.511237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.511237 (E_RNA)
where:
Base-Base interactions energy: -1285.851
where: short stacking energy: -541.020
Base-Backbone interact. energy: -4.023
local terms energy: -563.637444
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -111.987
flat angles C4'-P-C4' energy: -128.681
flat angles P-C4'-P energy: -80.668
tors. eta vs tors. theta energy: -150.848
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: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1784.931147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.931147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.931147 (E_RNA)
where:
Base-Base interactions energy: -1235.081
where: short stacking energy: -513.591
Base-Backbone interact. energy: -1.103
local terms energy: -548.747443
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -94.642
flat angles C4'-P-C4' energy: -124.858
flat angles P-C4'-P energy: -86.785
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: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1746.064760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.064760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.064760 (E_RNA)
where:
Base-Base interactions energy: -1248.248
where: short stacking energy: -497.433
Base-Backbone interact. energy: -0.960
local terms energy: -496.856433
where:
bonds (distance) C4'-P energy: -84.768
bonds (distance) P-C4' energy: -97.872
flat angles C4'-P-C4' energy: -106.879
flat angles P-C4'-P energy: -82.745
tors. eta vs tors. theta energy: -124.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1668.055685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.055685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.055685 (E_RNA)
where:
Base-Base interactions energy: -1174.018
where: short stacking energy: -451.539
Base-Backbone interact. energy: -0.359
local terms energy: -493.678879
where:
bonds (distance) C4'-P energy: -85.799
bonds (distance) P-C4' energy: -93.995
flat angles C4'-P-C4' energy: -115.953
flat angles P-C4'-P energy: -80.831
tors. eta vs tors. theta energy: -117.101
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: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1518.733031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.733031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.733031 (E_RNA)
where:
Base-Base interactions energy: -1037.590
where: short stacking energy: -433.774
Base-Backbone interact. energy: -0.905
local terms energy: -480.238642
where:
bonds (distance) C4'-P energy: -92.162
bonds (distance) P-C4' energy: -104.210
flat angles C4'-P-C4' energy: -98.188
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -113.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1339.301529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.301529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.301529 (E_RNA)
where:
Base-Base interactions energy: -890.257
where: short stacking energy: -388.484
Base-Backbone interact. energy: -0.138
local terms energy: -448.907305
where:
bonds (distance) C4'-P energy: -78.092
bonds (distance) P-C4' energy: -101.410
flat angles C4'-P-C4' energy: -109.873
flat angles P-C4'-P energy: -67.247
tors. eta vs tors. theta energy: -92.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1232.902227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.902227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.902227 (E_RNA)
where:
Base-Base interactions energy: -812.047
where: short stacking energy: -346.519
Base-Backbone interact. energy: -3.109
local terms energy: -417.746272
where:
bonds (distance) C4'-P energy: -84.947
bonds (distance) P-C4' energy: -85.166
flat angles C4'-P-C4' energy: -100.414
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -80.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1033.758469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.758469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.758469 (E_RNA)
where:
Base-Base interactions energy: -679.382
where: short stacking energy: -298.498
Base-Backbone interact. energy: -1.382
local terms energy: -352.994141
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -93.269
flat angles C4'-P-C4' energy: -89.373
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -44.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -784.220243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.220243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.220243 (E_RNA)
where:
Base-Base interactions energy: -476.032
where: short stacking energy: -235.229
Base-Backbone interact. energy: -1.178
local terms energy: -307.010138
where:
bonds (distance) C4'-P energy: -75.052
bonds (distance) P-C4' energy: -81.363
flat angles C4'-P-C4' energy: -77.987
flat angles P-C4'-P energy: -42.871
tors. eta vs tors. theta energy: -29.737
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1921.550553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.550553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.550553 (E_RNA)
where:
Base-Base interactions energy: -1359.245
where: short stacking energy: -575.211
Base-Backbone interact. energy: -2.498
local terms energy: -559.806894
where:
bonds (distance) C4'-P energy: -96.696
bonds (distance) P-C4' energy: -94.058
flat angles C4'-P-C4' energy: -125.110
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: -166.860
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1862.187067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.187067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.187067 (E_RNA)
where:
Base-Base interactions energy: -1310.900
where: short stacking energy: -542.049
Base-Backbone interact. energy: 4.771
local terms energy: -556.057967
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -130.596
flat angles P-C4'-P energy: -77.398
tors. eta vs tors. theta energy: -149.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1764.217136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.217136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.217136 (E_RNA)
where:
Base-Base interactions energy: -1244.220
where: short stacking energy: -513.204
Base-Backbone interact. energy: -1.611
local terms energy: -518.386839
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -72.518
tors. eta vs tors. theta energy: -132.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1729.930735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.930735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.930735 (E_RNA)
where:
Base-Base interactions energy: -1217.590
where: short stacking energy: -508.633
Base-Backbone interact. energy: 0.830
local terms energy: -513.170383
where:
bonds (distance) C4'-P energy: -100.962
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -111.613
flat angles P-C4'-P energy: -76.037
tors. eta vs tors. theta energy: -126.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1637.357718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.357718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.357718 (E_RNA)
where:
Base-Base interactions energy: -1147.408
where: short stacking energy: -454.066
Base-Backbone interact. energy: 0.390
local terms energy: -490.338930
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -109.036
flat angles P-C4'-P energy: -74.406
tors. eta vs tors. theta energy: -111.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1505.128590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.128590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.128590 (E_RNA)
where:
Base-Base interactions energy: -1021.788
where: short stacking energy: -433.320
Base-Backbone interact. energy: -1.305
local terms energy: -482.035164
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -104.793
flat angles P-C4'-P energy: -71.289
tors. eta vs tors. theta energy: -111.116
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1353.664181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.664181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.664181 (E_RNA)
where:
Base-Base interactions energy: -942.002
where: short stacking energy: -407.641
Base-Backbone interact. energy: 3.051
local terms energy: -414.712974
where:
bonds (distance) C4'-P energy: -84.442
bonds (distance) P-C4' energy: -80.574
flat angles C4'-P-C4' energy: -108.153
flat angles P-C4'-P energy: -60.056
tors. eta vs tors. theta energy: -81.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1319.512235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.512235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.512235 (E_RNA)
where:
Base-Base interactions energy: -898.258
where: short stacking energy: -377.887
Base-Backbone interact. energy: -2.445
local terms energy: -418.809973
where:
bonds (distance) C4'-P energy: -75.378
bonds (distance) P-C4' energy: -102.154
flat angles C4'-P-C4' energy: -89.083
flat angles P-C4'-P energy: -58.800
tors. eta vs tors. theta energy: -93.395
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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1047.787974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.787974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.787974 (E_RNA)
where:
Base-Base interactions energy: -680.163
where: short stacking energy: -320.092
Base-Backbone interact. energy: 1.689
local terms energy: -369.313070
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -92.502
flat angles C4'-P-C4' energy: -81.302
flat angles P-C4'-P energy: -46.348
tors. eta vs tors. theta energy: -52.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -827.281925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.281925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.281925 (E_RNA)
where:
Base-Base interactions energy: -502.423
where: short stacking energy: -221.268
Base-Backbone interact. energy: -1.364
local terms energy: -323.495756
where:
bonds (distance) C4'-P energy: -77.742
bonds (distance) P-C4' energy: -90.272
flat angles C4'-P-C4' energy: -80.233
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1891.689084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.689084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.689084 (E_RNA)
where:
Base-Base interactions energy: -1329.050
where: short stacking energy: -552.653
Base-Backbone interact. energy: -1.482
local terms energy: -561.157532
where:
bonds (distance) C4'-P energy: -105.440
bonds (distance) P-C4' energy: -99.186
flat angles C4'-P-C4' energy: -112.013
flat angles P-C4'-P energy: -90.224
tors. eta vs tors. theta energy: -154.295
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: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1853.743675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.743675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.743675 (E_RNA)
where:
Base-Base interactions energy: -1318.606
where: short stacking energy: -530.411
Base-Backbone interact. energy: -4.510
local terms energy: -530.628296
where:
bonds (distance) C4'-P energy: -91.017
bonds (distance) P-C4' energy: -99.067
flat angles C4'-P-C4' energy: -120.816
flat angles P-C4'-P energy: -77.439
tors. eta vs tors. theta energy: -142.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1749.467557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.467557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.467557 (E_RNA)
where:
Base-Base interactions energy: -1238.854
where: short stacking energy: -509.281
Base-Backbone interact. energy: -2.027
local terms energy: -508.586707
where:
bonds (distance) C4'-P energy: -104.918
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -111.456
flat angles P-C4'-P energy: -82.718
tors. eta vs tors. theta energy: -112.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1724.221674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.221674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.221674 (E_RNA)
where:
Base-Base interactions energy: -1194.464
where: short stacking energy: -500.728
Base-Backbone interact. energy: -0.915
local terms energy: -528.842509
where:
bonds (distance) C4'-P energy: -85.585
bonds (distance) P-C4' energy: -115.808
flat angles C4'-P-C4' energy: -119.961
flat angles P-C4'-P energy: -63.390
tors. eta vs tors. theta energy: -144.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1620.682589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.682589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.682589 (E_RNA)
where:
Base-Base interactions energy: -1139.564
where: short stacking energy: -427.964
Base-Backbone interact. energy: -3.616
local terms energy: -477.502415
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -93.738
flat angles C4'-P-C4' energy: -108.403
flat angles P-C4'-P energy: -75.221
tors. eta vs tors. theta energy: -112.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1494.504078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.504078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.504078 (E_RNA)
where:
Base-Base interactions energy: -1040.610
where: short stacking energy: -430.933
Base-Backbone interact. energy: -1.046
local terms energy: -452.847278
where:
bonds (distance) C4'-P energy: -93.541
bonds (distance) P-C4' energy: -86.575
flat angles C4'-P-C4' energy: -106.384
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -99.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1341.223256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.223256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.223256 (E_RNA)
where:
Base-Base interactions energy: -936.337
where: short stacking energy: -395.301
Base-Backbone interact. energy: 6.169
local terms energy: -411.055654
where:
bonds (distance) C4'-P energy: -104.658
bonds (distance) P-C4' energy: -72.997
flat angles C4'-P-C4' energy: -87.163
flat angles P-C4'-P energy: -68.280
tors. eta vs tors. theta energy: -77.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1274.570962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.570962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.570962 (E_RNA)
where:
Base-Base interactions energy: -877.179
where: short stacking energy: -386.887
Base-Backbone interact. energy: -0.764
local terms energy: -396.628015
where:
bonds (distance) C4'-P energy: -69.968
bonds (distance) P-C4' energy: -79.771
flat angles C4'-P-C4' energy: -84.483
flat angles P-C4'-P energy: -64.111
tors. eta vs tors. theta energy: -98.295
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: 225
Temperature: 1.300000
Total energy: -1001.877692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.877692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.877692 (E_RNA)
where:
Base-Base interactions energy: -615.722
where: short stacking energy: -290.692
Base-Backbone interact. energy: -2.520
local terms energy: -383.636031
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -94.717
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -68.901
tors. eta vs tors. theta energy: -57.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -797.708520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.708520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.708520 (E_RNA)
where:
Base-Base interactions energy: -479.641
where: short stacking energy: -224.336
Base-Backbone interact. energy: -3.210
local terms energy: -314.857587
where:
bonds (distance) C4'-P energy: -83.018
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -86.431
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: -10.332
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1896.934493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.934493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.934493 (E_RNA)
where:
Base-Base interactions energy: -1315.441
where: short stacking energy: -536.145
Base-Backbone interact. energy: -1.940
local terms energy: -579.552873
where:
bonds (distance) C4'-P energy: -106.324
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -125.905
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -151.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1852.007625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.007625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.007625 (E_RNA)
where:
Base-Base interactions energy: -1291.233
where: short stacking energy: -529.644
Base-Backbone interact. energy: -2.523
local terms energy: -558.251921
where:
bonds (distance) C4'-P energy: -100.659
bonds (distance) P-C4' energy: -108.123
flat angles C4'-P-C4' energy: -122.957
flat angles P-C4'-P energy: -79.192
tors. eta vs tors. theta energy: -147.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1751.650293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.650293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.650293 (E_RNA)
where:
Base-Base interactions energy: -1228.217
where: short stacking energy: -520.266
Base-Backbone interact. energy: -2.291
local terms energy: -521.141582
where:
bonds (distance) C4'-P energy: -101.042
bonds (distance) P-C4' energy: -83.809
flat angles C4'-P-C4' energy: -118.940
flat angles P-C4'-P energy: -78.858
tors. eta vs tors. theta energy: -138.492
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: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1688.036048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.036048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.036048 (E_RNA)
where:
Base-Base interactions energy: -1197.963
where: short stacking energy: -478.290
Base-Backbone interact. energy: -2.175
local terms energy: -487.897955
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -90.704
flat angles C4'-P-C4' energy: -111.438
flat angles P-C4'-P energy: -73.365
tors. eta vs tors. theta energy: -124.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1667.265062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.265062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.265062 (E_RNA)
where:
Base-Base interactions energy: -1171.604
where: short stacking energy: -477.173
Base-Backbone interact. energy: -3.939
local terms energy: -491.722444
where:
bonds (distance) C4'-P energy: -85.688
bonds (distance) P-C4' energy: -98.952
flat angles C4'-P-C4' energy: -103.702
flat angles P-C4'-P energy: -64.329
tors. eta vs tors. theta energy: -139.052
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: 226
Temperature: 1.150000
Total energy: -1497.310346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.310346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.310346 (E_RNA)
where:
Base-Base interactions energy: -1029.633
where: short stacking energy: -421.594
Base-Backbone interact. energy: 0.313
local terms energy: -467.990136
where:
bonds (distance) C4'-P energy: -103.228
bonds (distance) P-C4' energy: -86.217
flat angles C4'-P-C4' energy: -103.969
flat angles P-C4'-P energy: -70.253
tors. eta vs tors. theta energy: -104.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1306.883958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.883958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.883958 (E_RNA)
where:
Base-Base interactions energy: -873.800
where: short stacking energy: -357.105
Base-Backbone interact. energy: -2.168
local terms energy: -430.916123
where:
bonds (distance) C4'-P energy: -84.010
bonds (distance) P-C4' energy: -103.362
flat angles C4'-P-C4' energy: -108.484
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -77.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1293.460705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.460705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.460705 (E_RNA)
where:
Base-Base interactions energy: -847.100
where: short stacking energy: -380.268
Base-Backbone interact. energy: -3.316
local terms energy: -443.044716
where:
bonds (distance) C4'-P energy: -77.432
bonds (distance) P-C4' energy: -95.638
flat angles C4'-P-C4' energy: -115.285
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: -84.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -993.877309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.877309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.877309 (E_RNA)
where:
Base-Base interactions energy: -651.925
where: short stacking energy: -307.032
Base-Backbone interact. energy: -0.021
local terms energy: -341.931612
where:
bonds (distance) C4'-P energy: -88.457
bonds (distance) P-C4' energy: -88.302
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -45.201
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -839.249956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.249956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.249956 (E_RNA)
where:
Base-Base interactions energy: -506.949
where: short stacking energy: -234.449
Base-Backbone interact. energy: 1.070
local terms energy: -333.371292
where:
bonds (distance) C4'-P energy: -86.079
bonds (distance) P-C4' energy: -85.136
flat angles C4'-P-C4' energy: -75.275
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -33.109
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1941.553285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.553285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.553285 (E_RNA)
where:
Base-Base interactions energy: -1351.728
where: short stacking energy: -589.119
Base-Backbone interact. energy: -4.283
local terms energy: -585.542612
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -113.609
flat angles C4'-P-C4' energy: -124.798
flat angles P-C4'-P energy: -70.650
tors. eta vs tors. theta energy: -164.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1865.313993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.313993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.313993 (E_RNA)
where:
Base-Base interactions energy: -1304.698
where: short stacking energy: -541.391
Base-Backbone interact. energy: -0.132
local terms energy: -560.483887
where:
bonds (distance) C4'-P energy: -108.491
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -118.957
flat angles P-C4'-P energy: -76.426
tors. eta vs tors. theta energy: -150.083
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1743.998446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.998446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.998446 (E_RNA)
where:
Base-Base interactions energy: -1217.733
where: short stacking energy: -514.862
Base-Backbone interact. energy: 1.240
local terms energy: -527.504884
where:
bonds (distance) C4'-P energy: -82.188
bonds (distance) P-C4' energy: -109.050
flat angles C4'-P-C4' energy: -123.010
flat angles P-C4'-P energy: -76.861
tors. eta vs tors. theta energy: -136.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1724.195952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.195952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.195952 (E_RNA)
where:
Base-Base interactions energy: -1186.885
where: short stacking energy: -462.249
Base-Backbone interact. energy: -2.609
local terms energy: -534.701991
where:
bonds (distance) C4'-P energy: -104.662
bonds (distance) P-C4' energy: -112.082
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -84.328
tors. eta vs tors. theta energy: -125.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1675.716282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.716282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.716282 (E_RNA)
where:
Base-Base interactions energy: -1182.542
where: short stacking energy: -491.395
Base-Backbone interact. energy: -2.527
local terms energy: -490.647042
where:
bonds (distance) C4'-P energy: -93.841
bonds (distance) P-C4' energy: -82.151
flat angles C4'-P-C4' energy: -106.503
flat angles P-C4'-P energy: -69.889
tors. eta vs tors. theta energy: -138.264
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: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1503.832108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.832108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.832108 (E_RNA)
where:
Base-Base interactions energy: -1047.282
where: short stacking energy: -448.001
Base-Backbone interact. energy: 1.292
local terms energy: -457.842905
where:
bonds (distance) C4'-P energy: -89.805
bonds (distance) P-C4' energy: -88.792
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -64.490
tors. eta vs tors. theta energy: -104.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1313.688172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.688172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.688172 (E_RNA)
where:
Base-Base interactions energy: -891.047
where: short stacking energy: -401.618
Base-Backbone interact. energy: -2.304
local terms energy: -420.337027
where:
bonds (distance) C4'-P energy: -80.643
bonds (distance) P-C4' energy: -108.366
flat angles C4'-P-C4' energy: -91.461
flat angles P-C4'-P energy: -62.352
tors. eta vs tors. theta energy: -77.515
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: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1368.496517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.496517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.496517 (E_RNA)
where:
Base-Base interactions energy: -894.826
where: short stacking energy: -407.077
Base-Backbone interact. energy: -0.577
local terms energy: -473.094114
where:
bonds (distance) C4'-P energy: -101.234
bonds (distance) P-C4' energy: -84.795
flat angles C4'-P-C4' energy: -114.407
flat angles P-C4'-P energy: -76.315
tors. eta vs tors. theta energy: -96.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1001.816776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.816776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.816776 (E_RNA)
where:
Base-Base interactions energy: -638.929
where: short stacking energy: -270.218
Base-Backbone interact. energy: -1.722
local terms energy: -361.166510
where:
bonds (distance) C4'-P energy: -87.653
bonds (distance) P-C4' energy: -91.231
flat angles C4'-P-C4' energy: -102.342
flat angles P-C4'-P energy: -50.779
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -852.295066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.295066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.295066 (E_RNA)
where:
Base-Base interactions energy: -503.783
where: short stacking energy: -229.395
Base-Backbone interact. energy: -2.011
local terms energy: -346.501033
where:
bonds (distance) C4'-P energy: -85.322
bonds (distance) P-C4' energy: -77.487
flat angles C4'-P-C4' energy: -89.729
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -52.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1930.915299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.915299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.915299 (E_RNA)
where:
Base-Base interactions energy: -1336.585
where: short stacking energy: -571.065
Base-Backbone interact. energy: -2.040
local terms energy: -592.291077
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -108.979
flat angles C4'-P-C4' energy: -128.610
flat angles P-C4'-P energy: -92.378
tors. eta vs tors. theta energy: -158.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1845.060938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.060938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.060938 (E_RNA)
where:
Base-Base interactions energy: -1306.249
where: short stacking energy: -539.821
Base-Backbone interact. energy: -0.621
local terms energy: -538.191067
where:
bonds (distance) C4'-P energy: -112.284
bonds (distance) P-C4' energy: -93.106
flat angles C4'-P-C4' energy: -121.107
flat angles P-C4'-P energy: -67.365
tors. eta vs tors. theta energy: -144.329
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: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1749.284031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.284031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.284031 (E_RNA)
where:
Base-Base interactions energy: -1219.272
where: short stacking energy: -518.835
Base-Backbone interact. energy: -2.354
local terms energy: -527.657730
where:
bonds (distance) C4'-P energy: -94.627
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -124.065
flat angles P-C4'-P energy: -84.848
tors. eta vs tors. theta energy: -131.405
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: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1691.064218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.064218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.064218 (E_RNA)
where:
Base-Base interactions energy: -1197.367
where: short stacking energy: -522.277
Base-Backbone interact. energy: -2.524
local terms energy: -491.173232
where:
bonds (distance) C4'-P energy: -98.819
bonds (distance) P-C4' energy: -96.697
flat angles C4'-P-C4' energy: -109.508
flat angles P-C4'-P energy: -67.233
tors. eta vs tors. theta energy: -118.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1657.059816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.059816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.059816 (E_RNA)
where:
Base-Base interactions energy: -1183.556
where: short stacking energy: -470.671
Base-Backbone interact. energy: 1.932
local terms energy: -475.435954
where:
bonds (distance) C4'-P energy: -96.336
bonds (distance) P-C4' energy: -107.773
flat angles C4'-P-C4' energy: -106.498
flat angles P-C4'-P energy: -57.023
tors. eta vs tors. theta energy: -107.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1564.574725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.574725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.574725 (E_RNA)
where:
Base-Base interactions energy: -1097.338
where: short stacking energy: -463.946
Base-Backbone interact. energy: 1.554
local terms energy: -468.790137
where:
bonds (distance) C4'-P energy: -108.273
bonds (distance) P-C4' energy: -89.624
flat angles C4'-P-C4' energy: -97.595
flat angles P-C4'-P energy: -62.024
tors. eta vs tors. theta energy: -111.274
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: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1385.641519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.641519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.641519 (E_RNA)
where:
Base-Base interactions energy: -938.604
where: short stacking energy: -406.085
Base-Backbone interact. energy: 2.481
local terms energy: -449.518693
where:
bonds (distance) C4'-P energy: -74.342
bonds (distance) P-C4' energy: -103.659
flat angles C4'-P-C4' energy: -100.271
flat angles P-C4'-P energy: -65.127
tors. eta vs tors. theta energy: -106.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1258.967641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.967641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.967641 (E_RNA)
where:
Base-Base interactions energy: -859.374
where: short stacking energy: -374.909
Base-Backbone interact. energy: -0.433
local terms energy: -399.160477
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -87.734
flat angles C4'-P-C4' energy: -87.089
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -84.713
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: 228
Temperature: 1.300000
Total energy: -1042.236425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.236425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.236425 (E_RNA)
where:
Base-Base interactions energy: -699.770
where: short stacking energy: -298.999
Base-Backbone interact. energy: -1.251
local terms energy: -341.215649
where:
bonds (distance) C4'-P energy: -73.141
bonds (distance) P-C4' energy: -83.061
flat angles C4'-P-C4' energy: -82.724
flat angles P-C4'-P energy: -55.240
tors. eta vs tors. theta energy: -47.049
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: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -861.518678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.518678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.518678 (E_RNA)
where:
Base-Base interactions energy: -514.669
where: short stacking energy: -251.457
Base-Backbone interact. energy: 1.392
local terms energy: -348.242276
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -75.803
flat angles C4'-P-C4' energy: -87.554
flat angles P-C4'-P energy: -59.730
tors. eta vs tors. theta energy: -27.021
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: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1887.430288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.430288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.430288 (E_RNA)
where:
Base-Base interactions energy: -1342.036
where: short stacking energy: -563.749
Base-Backbone interact. energy: 1.251
local terms energy: -546.645681
where:
bonds (distance) C4'-P energy: -105.255
bonds (distance) P-C4' energy: -109.053
flat angles C4'-P-C4' energy: -117.481
flat angles P-C4'-P energy: -74.380
tors. eta vs tors. theta energy: -140.477
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: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1850.395351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.395351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.395351 (E_RNA)
where:
Base-Base interactions energy: -1291.619
where: short stacking energy: -526.922
Base-Backbone interact. energy: -4.179
local terms energy: -554.596804
where:
bonds (distance) C4'-P energy: -100.241
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -112.371
flat angles P-C4'-P energy: -74.965
tors. eta vs tors. theta energy: -154.625
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: 229
Temperature: 1.000000
Total energy: -1750.514043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.514043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.514043 (E_RNA)
where:
Base-Base interactions energy: -1210.819
where: short stacking energy: -498.634
Base-Backbone interact. energy: -2.757
local terms energy: -536.938044
where:
bonds (distance) C4'-P energy: -91.452
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -119.339
flat angles P-C4'-P energy: -85.183
tors. eta vs tors. theta energy: -133.159
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: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1684.924871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.924871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.924871 (E_RNA)
where:
Base-Base interactions energy: -1188.012
where: short stacking energy: -504.071
Base-Backbone interact. energy: -1.409
local terms energy: -495.504436
where:
bonds (distance) C4'-P energy: -94.756
bonds (distance) P-C4' energy: -102.704
flat angles C4'-P-C4' energy: -101.105
flat angles P-C4'-P energy: -65.336
tors. eta vs tors. theta energy: -131.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1672.837822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.837822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.837822 (E_RNA)
where:
Base-Base interactions energy: -1174.652
where: short stacking energy: -473.602
Base-Backbone interact. energy: 6.111
local terms energy: -504.297084
where:
bonds (distance) C4'-P energy: -75.346
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -118.955
flat angles P-C4'-P energy: -64.297
tors. eta vs tors. theta energy: -134.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1489.243692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.243692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.243692 (E_RNA)
where:
Base-Base interactions energy: -1054.465
where: short stacking energy: -445.813
Base-Backbone interact. energy: -1.404
local terms energy: -433.374263
where:
bonds (distance) C4'-P energy: -73.813
bonds (distance) P-C4' energy: -79.473
flat angles C4'-P-C4' energy: -107.920
flat angles P-C4'-P energy: -59.421
tors. eta vs tors. theta energy: -112.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1372.958791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.958791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.958791 (E_RNA)
where:
Base-Base interactions energy: -937.683
where: short stacking energy: -400.007
Base-Backbone interact. energy: 4.508
local terms energy: -439.784386
where:
bonds (distance) C4'-P energy: -77.024
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -99.846
flat angles P-C4'-P energy: -75.862
tors. eta vs tors. theta energy: -91.914
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1256.710183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.710183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.710183 (E_RNA)
where:
Base-Base interactions energy: -842.023
where: short stacking energy: -350.803
Base-Backbone interact. energy: -3.128
local terms energy: -411.559234
where:
bonds (distance) C4'-P energy: -92.465
bonds (distance) P-C4' energy: -94.090
flat angles C4'-P-C4' energy: -98.873
flat angles P-C4'-P energy: -48.778
tors. eta vs tors. theta energy: -77.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1029.297380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.297380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.297380 (E_RNA)
where:
Base-Base interactions energy: -662.947
where: short stacking energy: -323.145
Base-Backbone interact. energy: -0.406
local terms energy: -365.944492
where:
bonds (distance) C4'-P energy: -89.123
bonds (distance) P-C4' energy: -85.353
flat angles C4'-P-C4' energy: -76.515
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -65.556
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: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -862.678333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.678333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.678333 (E_RNA)
where:
Base-Base interactions energy: -564.553
where: short stacking energy: -248.546
Base-Backbone interact. energy: -2.112
local terms energy: -296.013594
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -75.625
flat angles C4'-P-C4' energy: -78.009
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1887.165034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.165034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.165034 (E_RNA)
where:
Base-Base interactions energy: -1324.138
where: short stacking energy: -568.882
Base-Backbone interact. energy: -3.843
local terms energy: -559.184763
where:
bonds (distance) C4'-P energy: -102.467
bonds (distance) P-C4' energy: -107.895
flat angles C4'-P-C4' energy: -116.089
flat angles P-C4'-P energy: -84.389
tors. eta vs tors. theta energy: -148.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1812.479346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.479346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.479346 (E_RNA)
where:
Base-Base interactions energy: -1257.091
where: short stacking energy: -530.315
Base-Backbone interact. energy: 0.311
local terms energy: -555.699740
where:
bonds (distance) C4'-P energy: -102.042
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -121.043
flat angles P-C4'-P energy: -77.245
tors. eta vs tors. theta energy: -146.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1769.607605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.607605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.607605 (E_RNA)
where:
Base-Base interactions energy: -1235.294
where: short stacking energy: -517.090
Base-Backbone interact. energy: 4.675
local terms energy: -538.988753
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -113.061
flat angles C4'-P-C4' energy: -111.674
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -141.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1711.490228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.490228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.490228 (E_RNA)
where:
Base-Base interactions energy: -1232.965
where: short stacking energy: -499.798
Base-Backbone interact. energy: 1.329
local terms energy: -479.854123
where:
bonds (distance) C4'-P energy: -80.389
bonds (distance) P-C4' energy: -101.970
flat angles C4'-P-C4' energy: -112.507
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -131.407
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: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1666.035932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.035932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.035932 (E_RNA)
where:
Base-Base interactions energy: -1161.637
where: short stacking energy: -474.991
Base-Backbone interact. energy: -1.644
local terms energy: -502.754375
where:
bonds (distance) C4'-P energy: -92.350
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -72.092
tors. eta vs tors. theta energy: -127.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1538.080192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.080192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.080192 (E_RNA)
where:
Base-Base interactions energy: -1068.299
where: short stacking energy: -427.106
Base-Backbone interact. energy: -2.740
local terms energy: -467.040362
where:
bonds (distance) C4'-P energy: -79.516
bonds (distance) P-C4' energy: -98.773
flat angles C4'-P-C4' energy: -105.851
flat angles P-C4'-P energy: -71.558
tors. eta vs tors. theta energy: -111.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1354.288985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.288985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.288985 (E_RNA)
where:
Base-Base interactions energy: -910.271
where: short stacking energy: -393.437
Base-Backbone interact. energy: -1.281
local terms energy: -442.737058
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -78.763
flat angles C4'-P-C4' energy: -107.529
flat angles P-C4'-P energy: -69.355
tors. eta vs tors. theta energy: -99.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1249.118135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.118135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.118135 (E_RNA)
where:
Base-Base interactions energy: -836.493
where: short stacking energy: -340.260
Base-Backbone interact. energy: -2.432
local terms energy: -410.192610
where:
bonds (distance) C4'-P energy: -105.988
bonds (distance) P-C4' energy: -88.775
flat angles C4'-P-C4' energy: -97.056
flat angles P-C4'-P energy: -55.672
tors. eta vs tors. theta energy: -62.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1043.788874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.788874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.788874 (E_RNA)
where:
Base-Base interactions energy: -676.700
where: short stacking energy: -297.271
Base-Backbone interact. energy: 4.985
local terms energy: -372.073696
where:
bonds (distance) C4'-P energy: -92.423
bonds (distance) P-C4' energy: -96.127
flat angles C4'-P-C4' energy: -95.439
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -46.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -869.426590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.426590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.426590 (E_RNA)
where:
Base-Base interactions energy: -561.301
where: short stacking energy: -279.076
Base-Backbone interact. energy: -1.713
local terms energy: -306.412404
where:
bonds (distance) C4'-P energy: -81.250
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -91.923
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -30.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1894.234357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.234357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.234357 (E_RNA)
where:
Base-Base interactions energy: -1320.478
where: short stacking energy: -542.641
Base-Backbone interact. energy: -2.645
local terms energy: -571.111335
where:
bonds (distance) C4'-P energy: -117.212
bonds (distance) P-C4' energy: -101.879
flat angles C4'-P-C4' energy: -120.637
flat angles P-C4'-P energy: -91.917
tors. eta vs tors. theta energy: -139.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1816.618680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.618680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.618680 (E_RNA)
where:
Base-Base interactions energy: -1265.475
where: short stacking energy: -521.477
Base-Backbone interact. energy: -2.004
local terms energy: -549.139770
where:
bonds (distance) C4'-P energy: -101.859
bonds (distance) P-C4' energy: -115.079
flat angles C4'-P-C4' energy: -116.334
flat angles P-C4'-P energy: -77.038
tors. eta vs tors. theta energy: -138.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1825.881521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.881521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.881521 (E_RNA)
where:
Base-Base interactions energy: -1303.666
where: short stacking energy: -531.985
Base-Backbone interact. energy: -0.012
local terms energy: -522.203677
where:
bonds (distance) C4'-P energy: -100.109
bonds (distance) P-C4' energy: -80.374
flat angles C4'-P-C4' energy: -120.276
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -145.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1733.988304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.988304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.988304 (E_RNA)
where:
Base-Base interactions energy: -1243.152
where: short stacking energy: -516.781
Base-Backbone interact. energy: -1.786
local terms energy: -489.050690
where:
bonds (distance) C4'-P energy: -77.421
bonds (distance) P-C4' energy: -85.492
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -75.689
tors. eta vs tors. theta energy: -136.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1639.592104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.592104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.592104 (E_RNA)
where:
Base-Base interactions energy: -1138.734
where: short stacking energy: -469.389
Base-Backbone interact. energy: 1.338
local terms energy: -502.195722
where:
bonds (distance) C4'-P energy: -95.663
bonds (distance) P-C4' energy: -97.962
flat angles C4'-P-C4' energy: -111.085
flat angles P-C4'-P energy: -68.577
tors. eta vs tors. theta energy: -128.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1582.800248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.800248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.800248 (E_RNA)
where:
Base-Base interactions energy: -1094.110
where: short stacking energy: -458.725
Base-Backbone interact. energy: -0.155
local terms energy: -488.534954
where:
bonds (distance) C4'-P energy: -76.790
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -118.021
flat angles P-C4'-P energy: -70.696
tors. eta vs tors. theta energy: -125.017
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1365.367744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.367744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.367744 (E_RNA)
where:
Base-Base interactions energy: -941.338
where: short stacking energy: -394.000
Base-Backbone interact. energy: -0.598
local terms energy: -423.432288
where:
bonds (distance) C4'-P energy: -80.803
bonds (distance) P-C4' energy: -95.521
flat angles C4'-P-C4' energy: -107.761
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -82.306
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: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1292.602835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.602835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.602835 (E_RNA)
where:
Base-Base interactions energy: -885.700
where: short stacking energy: -373.383
Base-Backbone interact. energy: 1.652
local terms energy: -408.554162
where:
bonds (distance) C4'-P energy: -74.536
bonds (distance) P-C4' energy: -88.355
flat angles C4'-P-C4' energy: -96.599
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -102.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1067.770169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.770169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.770169 (E_RNA)
where:
Base-Base interactions energy: -694.520
where: short stacking energy: -310.283
Base-Backbone interact. energy: -0.164
local terms energy: -373.086423
where:
bonds (distance) C4'-P energy: -90.956
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -93.573
flat angles P-C4'-P energy: -52.463
tors. eta vs tors. theta energy: -49.727
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: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -754.327251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.327251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.327251 (E_RNA)
where:
Base-Base interactions energy: -441.878
where: short stacking energy: -218.614
Base-Backbone interact. energy: -1.598
local terms energy: -310.851518
where:
bonds (distance) C4'-P energy: -72.465
bonds (distance) P-C4' energy: -94.606
flat angles C4'-P-C4' energy: -82.068
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1888.404322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.404322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.404322 (E_RNA)
where:
Base-Base interactions energy: -1322.324
where: short stacking energy: -559.439
Base-Backbone interact. energy: -3.727
local terms energy: -562.352996
where:
bonds (distance) C4'-P energy: -105.712
bonds (distance) P-C4' energy: -104.886
flat angles C4'-P-C4' energy: -111.422
flat angles P-C4'-P energy: -85.932
tors. eta vs tors. theta energy: -154.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1823.067568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.067568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.067568 (E_RNA)
where:
Base-Base interactions energy: -1246.725
where: short stacking energy: -536.161
Base-Backbone interact. energy: -3.674
local terms energy: -572.668284
where:
bonds (distance) C4'-P energy: -114.134
bonds (distance) P-C4' energy: -114.240
flat angles C4'-P-C4' energy: -117.770
flat angles P-C4'-P energy: -84.467
tors. eta vs tors. theta energy: -142.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1819.890342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.890342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.890342 (E_RNA)
where:
Base-Base interactions energy: -1281.814
where: short stacking energy: -531.696
Base-Backbone interact. energy: 2.864
local terms energy: -540.940526
where:
bonds (distance) C4'-P energy: -98.928
bonds (distance) P-C4' energy: -107.195
flat angles C4'-P-C4' energy: -113.062
flat angles P-C4'-P energy: -77.529
tors. eta vs tors. theta energy: -144.226
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: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1720.339666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.339666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.339666 (E_RNA)
where:
Base-Base interactions energy: -1197.176
where: short stacking energy: -483.711
Base-Backbone interact. energy: -1.223
local terms energy: -521.939784
where:
bonds (distance) C4'-P energy: -111.014
bonds (distance) P-C4' energy: -104.697
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -133.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1686.301751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.301751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.301751 (E_RNA)
where:
Base-Base interactions energy: -1183.539
where: short stacking energy: -467.372
Base-Backbone interact. energy: 2.863
local terms energy: -505.626024
where:
bonds (distance) C4'-P energy: -103.559
bonds (distance) P-C4' energy: -105.000
flat angles C4'-P-C4' energy: -98.641
flat angles P-C4'-P energy: -80.822
tors. eta vs tors. theta energy: -117.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1569.081132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.081132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.081132 (E_RNA)
where:
Base-Base interactions energy: -1072.956
where: short stacking energy: -464.085
Base-Backbone interact. energy: -2.675
local terms energy: -493.449796
where:
bonds (distance) C4'-P energy: -90.831
bonds (distance) P-C4' energy: -104.123
flat angles C4'-P-C4' energy: -109.646
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -123.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1389.430839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.430839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.430839 (E_RNA)
where:
Base-Base interactions energy: -943.086
where: short stacking energy: -419.381
Base-Backbone interact. energy: -2.975
local terms energy: -443.370226
where:
bonds (distance) C4'-P energy: -85.851
bonds (distance) P-C4' energy: -89.437
flat angles C4'-P-C4' energy: -99.023
flat angles P-C4'-P energy: -69.328
tors. eta vs tors. theta energy: -99.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1285.488785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.488785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.488785 (E_RNA)
where:
Base-Base interactions energy: -877.281
where: short stacking energy: -371.079
Base-Backbone interact. energy: 1.815
local terms energy: -410.022981
where:
bonds (distance) C4'-P energy: -69.642
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -105.389
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1113.399039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.399039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.399039 (E_RNA)
where:
Base-Base interactions energy: -708.490
where: short stacking energy: -327.425
Base-Backbone interact. energy: -2.919
local terms energy: -401.989720
where:
bonds (distance) C4'-P energy: -101.585
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -94.241
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -63.492
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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -799.440122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.440122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.440122 (E_RNA)
where:
Base-Base interactions energy: -488.738
where: short stacking energy: -216.178
Base-Backbone interact. energy: -1.322
local terms energy: -309.380601
where:
bonds (distance) C4'-P energy: -77.785
bonds (distance) P-C4' energy: -83.026
flat angles C4'-P-C4' energy: -89.034
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: -12.816
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: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1886.991366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.991366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.991366 (E_RNA)
where:
Base-Base interactions energy: -1313.767
where: short stacking energy: -579.111
Base-Backbone interact. energy: -2.056
local terms energy: -571.167576
where:
bonds (distance) C4'-P energy: -104.884
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -115.655
flat angles P-C4'-P energy: -93.067
tors. eta vs tors. theta energy: -152.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1797.826251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.826251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.826251 (E_RNA)
where:
Base-Base interactions energy: -1272.413
where: short stacking energy: -528.425
Base-Backbone interact. energy: 1.456
local terms energy: -526.869399
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -105.311
flat angles C4'-P-C4' energy: -117.437
flat angles P-C4'-P energy: -73.806
tors. eta vs tors. theta energy: -138.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1824.581694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.581694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.581694 (E_RNA)
where:
Base-Base interactions energy: -1272.650
where: short stacking energy: -509.117
Base-Backbone interact. energy: -0.392
local terms energy: -551.539595
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -109.205
flat angles C4'-P-C4' energy: -119.548
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -142.287
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: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1685.756913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.756913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.756913 (E_RNA)
where:
Base-Base interactions energy: -1212.675
where: short stacking energy: -488.528
Base-Backbone interact. energy: -1.633
local terms energy: -471.448165
where:
bonds (distance) C4'-P energy: -70.763
bonds (distance) P-C4' energy: -100.204
flat angles C4'-P-C4' energy: -103.699
flat angles P-C4'-P energy: -67.755
tors. eta vs tors. theta energy: -129.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1683.062239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.062239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.062239 (E_RNA)
where:
Base-Base interactions energy: -1167.430
where: short stacking energy: -490.275
Base-Backbone interact. energy: -2.702
local terms energy: -512.930548
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -98.433
flat angles C4'-P-C4' energy: -107.475
flat angles P-C4'-P energy: -67.106
tors. eta vs tors. theta energy: -141.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1548.380004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.380004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.380004 (E_RNA)
where:
Base-Base interactions energy: -1085.705
where: short stacking energy: -458.069
Base-Backbone interact. energy: -2.341
local terms energy: -460.333892
where:
bonds (distance) C4'-P energy: -85.471
bonds (distance) P-C4' energy: -80.226
flat angles C4'-P-C4' energy: -111.284
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -117.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1395.231371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.231371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.231371 (E_RNA)
where:
Base-Base interactions energy: -948.492
where: short stacking energy: -387.999
Base-Backbone interact. energy: 0.132
local terms energy: -446.870599
where:
bonds (distance) C4'-P energy: -84.682
bonds (distance) P-C4' energy: -91.975
flat angles C4'-P-C4' energy: -100.700
flat angles P-C4'-P energy: -71.218
tors. eta vs tors. theta energy: -98.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1257.801353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.801353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.801353 (E_RNA)
where:
Base-Base interactions energy: -846.117
where: short stacking energy: -384.084
Base-Backbone interact. energy: -2.066
local terms energy: -409.618243
where:
bonds (distance) C4'-P energy: -69.253
bonds (distance) P-C4' energy: -86.654
flat angles C4'-P-C4' energy: -93.833
flat angles P-C4'-P energy: -64.734
tors. eta vs tors. theta energy: -95.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1064.579307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.579307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.579307 (E_RNA)
where:
Base-Base interactions energy: -688.235
where: short stacking energy: -300.914
Base-Backbone interact. energy: -2.411
local terms energy: -373.933518
where:
bonds (distance) C4'-P energy: -92.639
bonds (distance) P-C4' energy: -82.247
flat angles C4'-P-C4' energy: -93.433
flat angles P-C4'-P energy: -52.870
tors. eta vs tors. theta energy: -52.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -844.379833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.379833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.379833 (E_RNA)
where:
Base-Base interactions energy: -522.354
where: short stacking energy: -241.733
Base-Backbone interact. energy: -2.361
local terms energy: -319.664307
where:
bonds (distance) C4'-P energy: -87.853
bonds (distance) P-C4' energy: -80.179
flat angles C4'-P-C4' energy: -86.376
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1888.459102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.459102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.459102 (E_RNA)
where:
Base-Base interactions energy: -1319.199
where: short stacking energy: -559.654
Base-Backbone interact. energy: -0.795
local terms energy: -568.464833
where:
bonds (distance) C4'-P energy: -116.472
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -119.753
flat angles P-C4'-P energy: -76.980
tors. eta vs tors. theta energy: -151.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1821.673123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.673123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.673123 (E_RNA)
where:
Base-Base interactions energy: -1283.116
where: short stacking energy: -528.357
Base-Backbone interact. energy: 0.468
local terms energy: -539.025490
where:
bonds (distance) C4'-P energy: -97.505
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -120.918
flat angles P-C4'-P energy: -80.105
tors. eta vs tors. theta energy: -138.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1805.038682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.038682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.038682 (E_RNA)
where:
Base-Base interactions energy: -1257.557
where: short stacking energy: -516.083
Base-Backbone interact. energy: -0.943
local terms energy: -546.539112
where:
bonds (distance) C4'-P energy: -96.201
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -116.637
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -142.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1722.567751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.567751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.567751 (E_RNA)
where:
Base-Base interactions energy: -1193.394
where: short stacking energy: -514.914
Base-Backbone interact. energy: -0.945
local terms energy: -528.228832
where:
bonds (distance) C4'-P energy: -91.529
bonds (distance) P-C4' energy: -106.072
flat angles C4'-P-C4' energy: -113.930
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -134.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1674.883639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.883639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.883639 (E_RNA)
where:
Base-Base interactions energy: -1184.538
where: short stacking energy: -483.381
Base-Backbone interact. energy: -2.241
local terms energy: -488.104386
where:
bonds (distance) C4'-P energy: -78.650
bonds (distance) P-C4' energy: -103.484
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -70.559
tors. eta vs tors. theta energy: -124.983
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: 234
Temperature: 1.150000
Total energy: -1530.442906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.442906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.442906 (E_RNA)
where:
Base-Base interactions energy: -1079.233
where: short stacking energy: -453.889
Base-Backbone interact. energy: -3.783
local terms energy: -447.426846
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -81.956
flat angles C4'-P-C4' energy: -107.983
flat angles P-C4'-P energy: -69.113
tors. eta vs tors. theta energy: -117.256
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: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1378.302562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.302562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.302562 (E_RNA)
where:
Base-Base interactions energy: -922.052
where: short stacking energy: -402.643
Base-Backbone interact. energy: -1.082
local terms energy: -455.168087
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -96.736
flat angles C4'-P-C4' energy: -102.115
flat angles P-C4'-P energy: -71.059
tors. eta vs tors. theta energy: -98.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1233.229070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.229070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.229070 (E_RNA)
where:
Base-Base interactions energy: -850.089
where: short stacking energy: -366.840
Base-Backbone interact. energy: -1.190
local terms energy: -381.950611
where:
bonds (distance) C4'-P energy: -75.287
bonds (distance) P-C4' energy: -89.533
flat angles C4'-P-C4' energy: -86.467
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -75.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1035.099107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.099107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.099107 (E_RNA)
where:
Base-Base interactions energy: -680.490
where: short stacking energy: -294.951
Base-Backbone interact. energy: -2.117
local terms energy: -352.492239
where:
bonds (distance) C4'-P energy: -80.083
bonds (distance) P-C4' energy: -91.468
flat angles C4'-P-C4' energy: -82.536
flat angles P-C4'-P energy: -52.776
tors. eta vs tors. theta energy: -45.629
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -830.485512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.485512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.485512 (E_RNA)
where:
Base-Base interactions energy: -490.477
where: short stacking energy: -222.816
Base-Backbone interact. energy: 7.831
local terms energy: -347.839441
where:
bonds (distance) C4'-P energy: -87.206
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -90.829
flat angles P-C4'-P energy: -55.866
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1903.828235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.828235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.828235 (E_RNA)
where:
Base-Base interactions energy: -1341.049
where: short stacking energy: -566.182
Base-Backbone interact. energy: -1.942
local terms energy: -560.836839
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -103.058
flat angles C4'-P-C4' energy: -118.021
flat angles P-C4'-P energy: -87.931
tors. eta vs tors. theta energy: -161.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1872.056905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.056905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.056905 (E_RNA)
where:
Base-Base interactions energy: -1317.729
where: short stacking energy: -554.907
Base-Backbone interact. energy: -2.400
local terms energy: -551.928004
where:
bonds (distance) C4'-P energy: -104.101
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -74.365
tors. eta vs tors. theta energy: -150.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1830.515017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.515017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.515017 (E_RNA)
where:
Base-Base interactions energy: -1263.816
where: short stacking energy: -552.739
Base-Backbone interact. energy: -1.358
local terms energy: -565.340262
where:
bonds (distance) C4'-P energy: -104.172
bonds (distance) P-C4' energy: -109.435
flat angles C4'-P-C4' energy: -122.291
flat angles P-C4'-P energy: -75.825
tors. eta vs tors. theta energy: -153.616
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: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1696.678539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.678539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.678539 (E_RNA)
where:
Base-Base interactions energy: -1192.847
where: short stacking energy: -501.934
Base-Backbone interact. energy: -0.497
local terms energy: -503.333977
where:
bonds (distance) C4'-P energy: -89.756
bonds (distance) P-C4' energy: -95.280
flat angles C4'-P-C4' energy: -106.413
flat angles P-C4'-P energy: -76.388
tors. eta vs tors. theta energy: -135.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1650.941823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.941823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.941823 (E_RNA)
where:
Base-Base interactions energy: -1138.831
where: short stacking energy: -446.583
Base-Backbone interact. energy: -3.018
local terms energy: -509.093646
where:
bonds (distance) C4'-P energy: -99.299
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -110.906
flat angles P-C4'-P energy: -66.832
tors. eta vs tors. theta energy: -119.682
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1541.767591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.767591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.767591 (E_RNA)
where:
Base-Base interactions energy: -1071.845
where: short stacking energy: -444.248
Base-Backbone interact. energy: -3.011
local terms energy: -466.911587
where:
bonds (distance) C4'-P energy: -79.139
bonds (distance) P-C4' energy: -96.602
flat angles C4'-P-C4' energy: -116.345
flat angles P-C4'-P energy: -62.881
tors. eta vs tors. theta energy: -111.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1423.178553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.178553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.178553 (E_RNA)
where:
Base-Base interactions energy: -980.199
where: short stacking energy: -402.107
Base-Backbone interact. energy: -1.943
local terms energy: -441.035987
where:
bonds (distance) C4'-P energy: -90.073
bonds (distance) P-C4' energy: -79.728
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -75.538
tors. eta vs tors. theta energy: -101.340
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1268.143754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.143754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.143754 (E_RNA)
where:
Base-Base interactions energy: -851.448
where: short stacking energy: -387.990
Base-Backbone interact. energy: -0.941
local terms energy: -415.755233
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -86.649
flat angles C4'-P-C4' energy: -101.797
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -101.842
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: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1020.152602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.152602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.152602 (E_RNA)
where:
Base-Base interactions energy: -654.098
where: short stacking energy: -307.824
Base-Backbone interact. energy: 2.048
local terms energy: -368.101841
where:
bonds (distance) C4'-P energy: -92.150
bonds (distance) P-C4' energy: -77.928
flat angles C4'-P-C4' energy: -92.323
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -53.697
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -820.131349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.131349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.131349 (E_RNA)
where:
Base-Base interactions energy: -477.177
where: short stacking energy: -227.446
Base-Backbone interact. energy: -2.998
local terms energy: -339.956842
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -91.639
flat angles C4'-P-C4' energy: -82.279
flat angles P-C4'-P energy: -45.158
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1877.322000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.322000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.322000 (E_RNA)
where:
Base-Base interactions energy: -1323.681
where: short stacking energy: -552.821
Base-Backbone interact. energy: -1.526
local terms energy: -552.114520
where:
bonds (distance) C4'-P energy: -107.891
bonds (distance) P-C4' energy: -97.658
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -91.352
tors. eta vs tors. theta energy: -142.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1855.696566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.696566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.696566 (E_RNA)
where:
Base-Base interactions energy: -1309.951
where: short stacking energy: -544.398
Base-Backbone interact. energy: 5.113
local terms energy: -550.857860
where:
bonds (distance) C4'-P energy: -90.196
bonds (distance) P-C4' energy: -94.020
flat angles C4'-P-C4' energy: -130.001
flat angles P-C4'-P energy: -84.576
tors. eta vs tors. theta energy: -152.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1765.248731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.248731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.248731 (E_RNA)
where:
Base-Base interactions energy: -1218.423
where: short stacking energy: -513.350
Base-Backbone interact. energy: -3.309
local terms energy: -543.516999
where:
bonds (distance) C4'-P energy: -107.976
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -123.493
flat angles P-C4'-P energy: -71.740
tors. eta vs tors. theta energy: -148.692
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: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1725.527915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.527915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.527915 (E_RNA)
where:
Base-Base interactions energy: -1208.403
where: short stacking energy: -517.025
Base-Backbone interact. energy: -2.253
local terms energy: -514.871680
where:
bonds (distance) C4'-P energy: -96.374
bonds (distance) P-C4' energy: -95.732
flat angles C4'-P-C4' energy: -119.322
flat angles P-C4'-P energy: -81.173
tors. eta vs tors. theta energy: -122.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1630.068652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.068652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.068652 (E_RNA)
where:
Base-Base interactions energy: -1154.113
where: short stacking energy: -479.063
Base-Backbone interact. energy: 2.349
local terms energy: -478.305316
where:
bonds (distance) C4'-P energy: -88.649
bonds (distance) P-C4' energy: -95.307
flat angles C4'-P-C4' energy: -104.199
flat angles P-C4'-P energy: -66.038
tors. eta vs tors. theta energy: -124.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1551.588863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.588863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.588863 (E_RNA)
where:
Base-Base interactions energy: -1064.915
where: short stacking energy: -430.817
Base-Backbone interact. energy: -0.440
local terms energy: -486.234093
where:
bonds (distance) C4'-P energy: -93.693
bonds (distance) P-C4' energy: -107.070
flat angles C4'-P-C4' energy: -104.221
flat angles P-C4'-P energy: -63.432
tors. eta vs tors. theta energy: -117.818
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: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1399.925452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.925452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.925452 (E_RNA)
where:
Base-Base interactions energy: -941.990
where: short stacking energy: -419.087
Base-Backbone interact. energy: -0.049
local terms energy: -457.886970
where:
bonds (distance) C4'-P energy: -90.513
bonds (distance) P-C4' energy: -90.814
flat angles C4'-P-C4' energy: -112.025
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -108.587
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: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1337.754679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.754679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.754679 (E_RNA)
where:
Base-Base interactions energy: -877.690
where: short stacking energy: -409.432
Base-Backbone interact. energy: -0.176
local terms energy: -459.889271
where:
bonds (distance) C4'-P energy: -88.090
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -104.331
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -105.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1013.196127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.196127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.196127 (E_RNA)
where:
Base-Base interactions energy: -622.537
where: short stacking energy: -278.098
Base-Backbone interact. energy: -2.507
local terms energy: -388.151337
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -85.748
flat angles C4'-P-C4' energy: -100.607
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -69.395
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: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -819.188319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.188319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.188319 (E_RNA)
where:
Base-Base interactions energy: -487.904
where: short stacking energy: -248.122
Base-Backbone interact. energy: -2.826
local terms energy: -328.457455
where:
bonds (distance) C4'-P energy: -91.773
bonds (distance) P-C4' energy: -79.680
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -51.793
tors. eta vs tors. theta energy: -31.616
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: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1893.123879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.123879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.123879 (E_RNA)
where:
Base-Base interactions energy: -1328.907
where: short stacking energy: -556.214
Base-Backbone interact. energy: -2.857
local terms energy: -561.359510
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -106.811
flat angles C4'-P-C4' energy: -114.799
flat angles P-C4'-P energy: -85.464
tors. eta vs tors. theta energy: -150.651
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1834.575173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.575173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.575173 (E_RNA)
where:
Base-Base interactions energy: -1279.001
where: short stacking energy: -521.665
Base-Backbone interact. energy: 0.785
local terms energy: -556.358952
where:
bonds (distance) C4'-P energy: -108.981
bonds (distance) P-C4' energy: -90.429
flat angles C4'-P-C4' energy: -122.388
flat angles P-C4'-P energy: -85.342
tors. eta vs tors. theta energy: -149.219
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: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1765.045114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.045114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.045114 (E_RNA)
where:
Base-Base interactions energy: -1244.255
where: short stacking energy: -524.813
Base-Backbone interact. energy: -0.627
local terms energy: -520.162788
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -99.749
flat angles C4'-P-C4' energy: -109.905
flat angles P-C4'-P energy: -81.005
tors. eta vs tors. theta energy: -141.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1733.782303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.782303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.782303 (E_RNA)
where:
Base-Base interactions energy: -1227.038
where: short stacking energy: -500.694
Base-Backbone interact. energy: -0.615
local terms energy: -506.129738
where:
bonds (distance) C4'-P energy: -95.223
bonds (distance) P-C4' energy: -102.952
flat angles C4'-P-C4' energy: -108.627
flat angles P-C4'-P energy: -66.383
tors. eta vs tors. theta energy: -132.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1668.682128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.682128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.682128 (E_RNA)
where:
Base-Base interactions energy: -1174.620
where: short stacking energy: -512.952
Base-Backbone interact. energy: 7.329
local terms energy: -501.390811
where:
bonds (distance) C4'-P energy: -94.078
bonds (distance) P-C4' energy: -83.393
flat angles C4'-P-C4' energy: -115.508
flat angles P-C4'-P energy: -80.243
tors. eta vs tors. theta energy: -128.169
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1539.861750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.861750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.861750 (E_RNA)
where:
Base-Base interactions energy: -1091.027
where: short stacking energy: -458.543
Base-Backbone interact. energy: -0.837
local terms energy: -447.997430
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -90.658
flat angles C4'-P-C4' energy: -104.775
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -109.586
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: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1388.911878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.911878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.911878 (E_RNA)
where:
Base-Base interactions energy: -951.124
where: short stacking energy: -405.984
Base-Backbone interact. energy: 1.424
local terms energy: -439.212758
where:
bonds (distance) C4'-P energy: -89.729
bonds (distance) P-C4' energy: -90.631
flat angles C4'-P-C4' energy: -99.696
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -89.014
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1271.938072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.938072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.938072 (E_RNA)
where:
Base-Base interactions energy: -848.980
where: short stacking energy: -352.959
Base-Backbone interact. energy: -3.896
local terms energy: -419.062539
where:
bonds (distance) C4'-P energy: -89.476
bonds (distance) P-C4' energy: -86.288
flat angles C4'-P-C4' energy: -93.558
flat angles P-C4'-P energy: -64.606
tors. eta vs tors. theta energy: -85.135
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: 237
Temperature: 1.300000
Total energy: -968.399190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.399190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.399190 (E_RNA)
where:
Base-Base interactions energy: -586.759
where: short stacking energy: -284.121
Base-Backbone interact. energy: 0.514
local terms energy: -382.154476
where:
bonds (distance) C4'-P energy: -85.000
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -87.642
flat angles P-C4'-P energy: -64.079
tors. eta vs tors. theta energy: -50.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -797.840531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.840531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.840531 (E_RNA)
where:
Base-Base interactions energy: -463.326
where: short stacking energy: -227.398
Base-Backbone interact. energy: 1.810
local terms energy: -336.323765
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -96.997
flat angles C4'-P-C4' energy: -86.787
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -20.185
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: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1917.406247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.406247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.406247 (E_RNA)
where:
Base-Base interactions energy: -1324.373
where: short stacking energy: -546.545
Base-Backbone interact. energy: -2.362
local terms energy: -590.671917
where:
bonds (distance) C4'-P energy: -121.435
bonds (distance) P-C4' energy: -117.888
flat angles C4'-P-C4' energy: -123.897
flat angles P-C4'-P energy: -78.033
tors. eta vs tors. theta energy: -149.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1837.067741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.067741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.067741 (E_RNA)
where:
Base-Base interactions energy: -1296.079
where: short stacking energy: -529.789
Base-Backbone interact. energy: -2.893
local terms energy: -538.095353
where:
bonds (distance) C4'-P energy: -108.589
bonds (distance) P-C4' energy: -98.365
flat angles C4'-P-C4' energy: -110.757
flat angles P-C4'-P energy: -81.240
tors. eta vs tors. theta energy: -139.145
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1759.693224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.693224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.693224 (E_RNA)
where:
Base-Base interactions energy: -1206.903
where: short stacking energy: -530.109
Base-Backbone interact. energy: -1.596
local terms energy: -551.195042
where:
bonds (distance) C4'-P energy: -101.893
bonds (distance) P-C4' energy: -99.064
flat angles C4'-P-C4' energy: -121.349
flat angles P-C4'-P energy: -77.236
tors. eta vs tors. theta energy: -151.654
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: 238
Temperature: 1.050000
Total energy: -1701.866710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.866710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.866710 (E_RNA)
where:
Base-Base interactions energy: -1200.042
where: short stacking energy: -488.020
Base-Backbone interact. energy: 1.390
local terms energy: -503.215291
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -119.483
flat angles P-C4'-P energy: -70.946
tors. eta vs tors. theta energy: -121.561
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: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1650.653346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.653346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.653346 (E_RNA)
where:
Base-Base interactions energy: -1179.240
where: short stacking energy: -465.620
Base-Backbone interact. energy: -0.857
local terms energy: -470.555812
where:
bonds (distance) C4'-P energy: -94.939
bonds (distance) P-C4' energy: -92.705
flat angles C4'-P-C4' energy: -95.079
flat angles P-C4'-P energy: -65.074
tors. eta vs tors. theta energy: -122.759
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: 238
Temperature: 1.150000
Total energy: -1544.431770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.431770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.431770 (E_RNA)
where:
Base-Base interactions energy: -1094.375
where: short stacking energy: -453.421
Base-Backbone interact. energy: -3.080
local terms energy: -446.976261
where:
bonds (distance) C4'-P energy: -79.793
bonds (distance) P-C4' energy: -75.651
flat angles C4'-P-C4' energy: -103.692
flat angles P-C4'-P energy: -71.976
tors. eta vs tors. theta energy: -115.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1364.800197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.800197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.800197 (E_RNA)
where:
Base-Base interactions energy: -939.171
where: short stacking energy: -385.743
Base-Backbone interact. energy: -2.057
local terms energy: -423.572344
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -88.705
flat angles C4'-P-C4' energy: -94.828
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: -96.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1265.659974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.659974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.659974 (E_RNA)
where:
Base-Base interactions energy: -862.140
where: short stacking energy: -379.849
Base-Backbone interact. energy: -0.058
local terms energy: -403.462259
where:
bonds (distance) C4'-P energy: -90.367
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -83.560
flat angles P-C4'-P energy: -61.009
tors. eta vs tors. theta energy: -88.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -970.105391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.105391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.105391 (E_RNA)
where:
Base-Base interactions energy: -635.169
where: short stacking energy: -292.169
Base-Backbone interact. energy: -0.818
local terms energy: -334.118061
where:
bonds (distance) C4'-P energy: -84.192
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -69.134
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -45.159
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -816.387698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.387698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.387698 (E_RNA)
where:
Base-Base interactions energy: -489.273
where: short stacking energy: -237.261
Base-Backbone interact. energy: 1.101
local terms energy: -328.215337
where:
bonds (distance) C4'-P energy: -69.535
bonds (distance) P-C4' energy: -92.757
flat angles C4'-P-C4' energy: -86.235
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -26.540
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1894.215290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.215290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.215290 (E_RNA)
where:
Base-Base interactions energy: -1298.692
where: short stacking energy: -571.271
Base-Backbone interact. energy: -0.139
local terms energy: -595.385077
where:
bonds (distance) C4'-P energy: -109.982
bonds (distance) P-C4' energy: -114.407
flat angles C4'-P-C4' energy: -124.096
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -159.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1822.075116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.075116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.075116 (E_RNA)
where:
Base-Base interactions energy: -1245.900
where: short stacking energy: -535.603
Base-Backbone interact. energy: -1.132
local terms energy: -575.042988
where:
bonds (distance) C4'-P energy: -106.016
bonds (distance) P-C4' energy: -114.104
flat angles C4'-P-C4' energy: -119.108
flat angles P-C4'-P energy: -76.427
tors. eta vs tors. theta energy: -159.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1789.756371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.756371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.756371 (E_RNA)
where:
Base-Base interactions energy: -1279.658
where: short stacking energy: -520.123
Base-Backbone interact. energy: -2.135
local terms energy: -507.963208
where:
bonds (distance) C4'-P energy: -93.758
bonds (distance) P-C4' energy: -101.469
flat angles C4'-P-C4' energy: -108.446
flat angles P-C4'-P energy: -68.524
tors. eta vs tors. theta energy: -135.767
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: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1744.744522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.744522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.744522 (E_RNA)
where:
Base-Base interactions energy: -1203.246
where: short stacking energy: -506.783
Base-Backbone interact. energy: 2.381
local terms energy: -543.879421
where:
bonds (distance) C4'-P energy: -109.305
bonds (distance) P-C4' energy: -89.714
flat angles C4'-P-C4' energy: -120.442
flat angles P-C4'-P energy: -81.938
tors. eta vs tors. theta energy: -142.481
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1633.393127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.393127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.393127 (E_RNA)
where:
Base-Base interactions energy: -1149.633
where: short stacking energy: -463.887
Base-Backbone interact. energy: -2.483
local terms energy: -481.276908
where:
bonds (distance) C4'-P energy: -100.408
bonds (distance) P-C4' energy: -90.992
flat angles C4'-P-C4' energy: -97.604
flat angles P-C4'-P energy: -62.767
tors. eta vs tors. theta energy: -129.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1526.318111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.318111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.318111 (E_RNA)
where:
Base-Base interactions energy: -1039.021
where: short stacking energy: -432.744
Base-Backbone interact. energy: 0.249
local terms energy: -487.546405
where:
bonds (distance) C4'-P energy: -96.408
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -101.626
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -111.043
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1394.300854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.300854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.300854 (E_RNA)
where:
Base-Base interactions energy: -973.456
where: short stacking energy: -417.414
Base-Backbone interact. energy: 3.282
local terms energy: -424.127146
where:
bonds (distance) C4'-P energy: -75.518
bonds (distance) P-C4' energy: -87.176
flat angles C4'-P-C4' energy: -107.075
flat angles P-C4'-P energy: -64.863
tors. eta vs tors. theta energy: -89.495
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: 239
Temperature: 1.250000
Total energy: -1221.841573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.841573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.841573 (E_RNA)
where:
Base-Base interactions energy: -822.917
where: short stacking energy: -350.971
Base-Backbone interact. energy: 0.598
local terms energy: -399.522717
where:
bonds (distance) C4'-P energy: -73.281
bonds (distance) P-C4' energy: -97.715
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -72.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -977.134292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.134292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.134292 (E_RNA)
where:
Base-Base interactions energy: -613.928
where: short stacking energy: -278.464
Base-Backbone interact. energy: -1.733
local terms energy: -361.473290
where:
bonds (distance) C4'-P energy: -77.906
bonds (distance) P-C4' energy: -94.830
flat angles C4'-P-C4' energy: -80.456
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -837.617644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.617644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.617644 (E_RNA)
where:
Base-Base interactions energy: -497.474
where: short stacking energy: -213.940
Base-Backbone interact. energy: -3.998
local terms energy: -336.145785
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -112.080
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -16.715
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: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1893.095602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.095602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.095602 (E_RNA)
where:
Base-Base interactions energy: -1301.449
where: short stacking energy: -563.929
Base-Backbone interact. energy: -3.155
local terms energy: -588.491359
where:
bonds (distance) C4'-P energy: -106.847
bonds (distance) P-C4' energy: -106.767
flat angles C4'-P-C4' energy: -124.419
flat angles P-C4'-P energy: -85.387
tors. eta vs tors. theta energy: -165.071
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1857.350312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.350312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.350312 (E_RNA)
where:
Base-Base interactions energy: -1281.080
where: short stacking energy: -567.856
Base-Backbone interact. energy: -0.870
local terms energy: -575.399937
where:
bonds (distance) C4'-P energy: -104.513
bonds (distance) P-C4' energy: -105.072
flat angles C4'-P-C4' energy: -123.277
flat angles P-C4'-P energy: -83.122
tors. eta vs tors. theta energy: -159.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1827.987712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.987712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.987712 (E_RNA)
where:
Base-Base interactions energy: -1286.157
where: short stacking energy: -513.028
Base-Backbone interact. energy: 3.280
local terms energy: -545.110331
where:
bonds (distance) C4'-P energy: -103.099
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -124.458
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -132.135
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: 240
Temperature: 1.050000
Total energy: -1704.487631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.487631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.487631 (E_RNA)
where:
Base-Base interactions energy: -1198.938
where: short stacking energy: -505.650
Base-Backbone interact. energy: -0.537
local terms energy: -505.012840
where:
bonds (distance) C4'-P energy: -94.928
bonds (distance) P-C4' energy: -103.027
flat angles C4'-P-C4' energy: -110.478
flat angles P-C4'-P energy: -68.870
tors. eta vs tors. theta energy: -127.711
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: 240
Temperature: 1.100000
Total energy: -1617.706945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.706945 (E_RNA)
where:
Base-Base interactions energy: -1119.028
where: short stacking energy: -460.192
Base-Backbone interact. energy: -4.204
local terms energy: -494.474952
where:
bonds (distance) C4'-P energy: -97.078
bonds (distance) P-C4' energy: -95.544
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -78.852
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: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1518.136992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.136992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.136992 (E_RNA)
where:
Base-Base interactions energy: -1022.893
where: short stacking energy: -412.814
Base-Backbone interact. energy: -0.178
local terms energy: -495.066374
where:
bonds (distance) C4'-P energy: -102.236
bonds (distance) P-C4' energy: -115.036
flat angles C4'-P-C4' energy: -111.069
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -98.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1344.307403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.307403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.307403 (E_RNA)
where:
Base-Base interactions energy: -922.104
where: short stacking energy: -397.160
Base-Backbone interact. energy: -1.988
local terms energy: -420.215403
where:
bonds (distance) C4'-P energy: -88.326
bonds (distance) P-C4' energy: -72.130
flat angles C4'-P-C4' energy: -100.601
flat angles P-C4'-P energy: -73.727
tors. eta vs tors. theta energy: -85.431
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: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1225.546401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.546401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.546401 (E_RNA)
where:
Base-Base interactions energy: -853.080
where: short stacking energy: -369.021
Base-Backbone interact. energy: -1.702
local terms energy: -370.764105
where:
bonds (distance) C4'-P energy: -73.604
bonds (distance) P-C4' energy: -104.273
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: -71.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -931.749248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.749248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.749248 (E_RNA)
where:
Base-Base interactions energy: -627.426
where: short stacking energy: -276.028
Base-Backbone interact. energy: 2.091
local terms energy: -306.414220
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -97.080
flat angles C4'-P-C4' energy: -71.400
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -45.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -849.786373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.786373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.786373 (E_RNA)
where:
Base-Base interactions energy: -514.851
where: short stacking energy: -251.672
Base-Backbone interact. energy: -0.134
local terms energy: -334.801627
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -101.820
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -34.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1891.954750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.954750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.954750 (E_RNA)
where:
Base-Base interactions energy: -1325.151
where: short stacking energy: -565.814
Base-Backbone interact. energy: -4.037
local terms energy: -562.766011
where:
bonds (distance) C4'-P energy: -100.257
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -118.800
flat angles P-C4'-P energy: -74.676
tors. eta vs tors. theta energy: -160.474
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: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1842.075087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.075087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.075087 (E_RNA)
where:
Base-Base interactions energy: -1276.456
where: short stacking energy: -537.144
Base-Backbone interact. energy: 0.118
local terms energy: -565.737643
where:
bonds (distance) C4'-P energy: -107.272
bonds (distance) P-C4' energy: -114.404
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -145.252
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1813.325093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.325093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.325093 (E_RNA)
where:
Base-Base interactions energy: -1268.177
where: short stacking energy: -548.779
Base-Backbone interact. energy: -1.645
local terms energy: -543.502612
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -101.253
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -79.126
tors. eta vs tors. theta energy: -146.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1701.232627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.232627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.232627 (E_RNA)
where:
Base-Base interactions energy: -1184.982
where: short stacking energy: -493.181
Base-Backbone interact. energy: -0.823
local terms energy: -515.427530
where:
bonds (distance) C4'-P energy: -93.324
bonds (distance) P-C4' energy: -100.270
flat angles C4'-P-C4' energy: -114.123
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -127.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1657.950913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.950913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.950913 (E_RNA)
where:
Base-Base interactions energy: -1128.141
where: short stacking energy: -486.903
Base-Backbone interact. energy: -2.657
local terms energy: -527.153002
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -107.737
flat angles C4'-P-C4' energy: -114.573
flat angles P-C4'-P energy: -76.195
tors. eta vs tors. theta energy: -132.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1535.740541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.740541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.740541 (E_RNA)
where:
Base-Base interactions energy: -1060.903
where: short stacking energy: -462.153
Base-Backbone interact. energy: 0.337
local terms energy: -475.174088
where:
bonds (distance) C4'-P energy: -83.610
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -116.389
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: -118.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1337.431089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.431089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.431089 (E_RNA)
where:
Base-Base interactions energy: -940.111
where: short stacking energy: -390.480
Base-Backbone interact. energy: -0.642
local terms energy: -396.678413
where:
bonds (distance) C4'-P energy: -73.706
bonds (distance) P-C4' energy: -71.933
flat angles C4'-P-C4' energy: -98.429
flat angles P-C4'-P energy: -57.620
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1201.898100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.898100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.898100 (E_RNA)
where:
Base-Base interactions energy: -802.698
where: short stacking energy: -332.098
Base-Backbone interact. energy: -2.459
local terms energy: -396.740230
where:
bonds (distance) C4'-P energy: -76.271
bonds (distance) P-C4' energy: -95.832
flat angles C4'-P-C4' energy: -98.052
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -916.873554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.873554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.873554 (E_RNA)
where:
Base-Base interactions energy: -560.922
where: short stacking energy: -257.336
Base-Backbone interact. energy: 1.885
local terms energy: -357.836348
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -93.671
flat angles C4'-P-C4' energy: -91.634
flat angles P-C4'-P energy: -52.425
tors. eta vs tors. theta energy: -28.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -860.808119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.808119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.808119 (E_RNA)
where:
Base-Base interactions energy: -537.789
where: short stacking energy: -245.680
Base-Backbone interact. energy: 3.978
local terms energy: -326.996816
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -81.067
flat angles C4'-P-C4' energy: -77.839
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1924.978720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.978720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.978720 (E_RNA)
where:
Base-Base interactions energy: -1352.986
where: short stacking energy: -566.876
Base-Backbone interact. energy: 1.697
local terms energy: -573.689997
where:
bonds (distance) C4'-P energy: -110.516
bonds (distance) P-C4' energy: -107.007
flat angles C4'-P-C4' energy: -123.778
flat angles P-C4'-P energy: -78.128
tors. eta vs tors. theta energy: -154.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1877.864548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.864548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.864548 (E_RNA)
where:
Base-Base interactions energy: -1314.635
where: short stacking energy: -531.724
Base-Backbone interact. energy: -5.130
local terms energy: -558.099684
where:
bonds (distance) C4'-P energy: -101.299
bonds (distance) P-C4' energy: -113.859
flat angles C4'-P-C4' energy: -120.677
flat angles P-C4'-P energy: -75.843
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: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1783.533979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.533979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.533979 (E_RNA)
where:
Base-Base interactions energy: -1232.048
where: short stacking energy: -529.115
Base-Backbone interact. energy: -1.006
local terms energy: -550.480305
where:
bonds (distance) C4'-P energy: -98.270
bonds (distance) P-C4' energy: -102.293
flat angles C4'-P-C4' energy: -114.724
flat angles P-C4'-P energy: -85.648
tors. eta vs tors. theta energy: -149.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1700.106235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.106235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.106235 (E_RNA)
where:
Base-Base interactions energy: -1162.791
where: short stacking energy: -497.895
Base-Backbone interact. energy: -2.434
local terms energy: -534.881017
where:
bonds (distance) C4'-P energy: -104.418
bonds (distance) P-C4' energy: -105.179
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -79.795
tors. eta vs tors. theta energy: -131.453
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1631.070476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.070476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.070476 (E_RNA)
where:
Base-Base interactions energy: -1130.979
where: short stacking energy: -464.931
Base-Backbone interact. energy: 0.404
local terms energy: -500.495490
where:
bonds (distance) C4'-P energy: -106.512
bonds (distance) P-C4' energy: -99.354
flat angles C4'-P-C4' energy: -105.475
flat angles P-C4'-P energy: -64.581
tors. eta vs tors. theta energy: -124.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1519.808491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.808491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.808491 (E_RNA)
where:
Base-Base interactions energy: -1058.858
where: short stacking energy: -414.724
Base-Backbone interact. energy: -4.099
local terms energy: -456.851297
where:
bonds (distance) C4'-P energy: -82.745
bonds (distance) P-C4' energy: -88.327
flat angles C4'-P-C4' energy: -110.440
flat angles P-C4'-P energy: -75.248
tors. eta vs tors. theta energy: -100.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1390.065788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.065788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.065788 (E_RNA)
where:
Base-Base interactions energy: -941.592
where: short stacking energy: -421.511
Base-Backbone interact. energy: -2.045
local terms energy: -446.428741
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -94.687
flat angles P-C4'-P energy: -65.089
tors. eta vs tors. theta energy: -102.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1221.424151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.424151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.424151 (E_RNA)
where:
Base-Base interactions energy: -821.638
where: short stacking energy: -331.652
Base-Backbone interact. energy: -0.344
local terms energy: -399.442287
where:
bonds (distance) C4'-P energy: -102.067
bonds (distance) P-C4' energy: -73.900
flat angles C4'-P-C4' energy: -101.527
flat angles P-C4'-P energy: -53.267
tors. eta vs tors. theta energy: -68.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -948.274368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.274368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.274368 (E_RNA)
where:
Base-Base interactions energy: -608.279
where: short stacking energy: -270.550
Base-Backbone interact. energy: -2.192
local terms energy: -337.803012
where:
bonds (distance) C4'-P energy: -80.422
bonds (distance) P-C4' energy: -90.653
flat angles C4'-P-C4' energy: -75.687
flat angles P-C4'-P energy: -49.041
tors. eta vs tors. theta energy: -42.001
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: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -827.046443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.046443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.046443 (E_RNA)
where:
Base-Base interactions energy: -487.123
where: short stacking energy: -241.234
Base-Backbone interact. energy: -2.718
local terms energy: -337.205037
where:
bonds (distance) C4'-P energy: -65.983
bonds (distance) P-C4' energy: -77.808
flat angles C4'-P-C4' energy: -96.155
flat angles P-C4'-P energy: -54.464
tors. eta vs tors. theta energy: -42.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1913.370626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.370626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.370626 (E_RNA)
where:
Base-Base interactions energy: -1332.634
where: short stacking energy: -560.445
Base-Backbone interact. energy: -3.806
local terms energy: -576.930773
where:
bonds (distance) C4'-P energy: -103.702
bonds (distance) P-C4' energy: -116.756
flat angles C4'-P-C4' energy: -118.352
flat angles P-C4'-P energy: -80.452
tors. eta vs tors. theta energy: -157.669
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: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1845.405644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.405644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.405644 (E_RNA)
where:
Base-Base interactions energy: -1285.468
where: short stacking energy: -517.117
Base-Backbone interact. energy: -3.532
local terms energy: -556.405534
where:
bonds (distance) C4'-P energy: -107.770
bonds (distance) P-C4' energy: -102.403
flat angles C4'-P-C4' energy: -127.633
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -137.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1771.317926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.317926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.317926 (E_RNA)
where:
Base-Base interactions energy: -1242.261
where: short stacking energy: -526.026
Base-Backbone interact. energy: -2.546
local terms energy: -526.511443
where:
bonds (distance) C4'-P energy: -86.486
bonds (distance) P-C4' energy: -113.004
flat angles C4'-P-C4' energy: -112.590
flat angles P-C4'-P energy: -74.430
tors. eta vs tors. theta energy: -140.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1688.270226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.270226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.270226 (E_RNA)
where:
Base-Base interactions energy: -1183.664
where: short stacking energy: -487.485
Base-Backbone interact. energy: 0.342
local terms energy: -504.947560
where:
bonds (distance) C4'-P energy: -85.394
bonds (distance) P-C4' energy: -105.967
flat angles C4'-P-C4' energy: -115.241
flat angles P-C4'-P energy: -77.352
tors. eta vs tors. theta energy: -120.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1628.081405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.081405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.081405 (E_RNA)
where:
Base-Base interactions energy: -1138.970
where: short stacking energy: -477.886
Base-Backbone interact. energy: 1.497
local terms energy: -490.609232
where:
bonds (distance) C4'-P energy: -98.772
bonds (distance) P-C4' energy: -92.310
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -120.668
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: 243
Temperature: 1.150000
Total energy: -1544.421661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.421661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.421661 (E_RNA)
where:
Base-Base interactions energy: -1087.526
where: short stacking energy: -460.300
Base-Backbone interact. energy: 2.384
local terms energy: -459.279039
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -85.749
flat angles C4'-P-C4' energy: -100.272
flat angles P-C4'-P energy: -72.860
tors. eta vs tors. theta energy: -112.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1352.509612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.509612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.509612 (E_RNA)
where:
Base-Base interactions energy: -920.627
where: short stacking energy: -384.549
Base-Backbone interact. energy: -0.158
local terms energy: -431.724703
where:
bonds (distance) C4'-P energy: -85.006
bonds (distance) P-C4' energy: -77.102
flat angles C4'-P-C4' energy: -113.921
flat angles P-C4'-P energy: -63.542
tors. eta vs tors. theta energy: -92.153
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: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1230.751869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.751869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.751869 (E_RNA)
where:
Base-Base interactions energy: -836.538
where: short stacking energy: -363.985
Base-Backbone interact. energy: -0.616
local terms energy: -393.597644
where:
bonds (distance) C4'-P energy: -71.846
bonds (distance) P-C4' energy: -89.407
flat angles C4'-P-C4' energy: -91.310
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -77.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -946.219678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.219678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.219678 (E_RNA)
where:
Base-Base interactions energy: -619.002
where: short stacking energy: -265.902
Base-Backbone interact. energy: 5.015
local terms energy: -332.233544
where:
bonds (distance) C4'-P energy: -93.758
bonds (distance) P-C4' energy: -87.154
flat angles C4'-P-C4' energy: -74.825
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -37.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -827.552087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.552087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.552087 (E_RNA)
where:
Base-Base interactions energy: -500.812
where: short stacking energy: -241.670
Base-Backbone interact. energy: 2.860
local terms energy: -329.600268
where:
bonds (distance) C4'-P energy: -73.562
bonds (distance) P-C4' energy: -94.450
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1912.075984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.075984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.075984 (E_RNA)
where:
Base-Base interactions energy: -1345.573
where: short stacking energy: -565.590
Base-Backbone interact. energy: -3.118
local terms energy: -563.384295
where:
bonds (distance) C4'-P energy: -100.707
bonds (distance) P-C4' energy: -106.860
flat angles C4'-P-C4' energy: -125.715
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -153.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1829.727711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.727711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.727711 (E_RNA)
where:
Base-Base interactions energy: -1267.555
where: short stacking energy: -542.717
Base-Backbone interact. energy: -4.006
local terms energy: -558.167082
where:
bonds (distance) C4'-P energy: -100.493
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -122.628
flat angles P-C4'-P energy: -74.350
tors. eta vs tors. theta energy: -158.327
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1754.372466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.372466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.372466 (E_RNA)
where:
Base-Base interactions energy: -1241.558
where: short stacking energy: -518.753
Base-Backbone interact. energy: -2.739
local terms energy: -510.075155
where:
bonds (distance) C4'-P energy: -101.841
bonds (distance) P-C4' energy: -97.880
flat angles C4'-P-C4' energy: -117.921
flat angles P-C4'-P energy: -61.015
tors. eta vs tors. theta energy: -131.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1705.973023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.973023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.973023 (E_RNA)
where:
Base-Base interactions energy: -1171.211
where: short stacking energy: -491.519
Base-Backbone interact. energy: -1.390
local terms energy: -533.372488
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -126.524
flat angles P-C4'-P energy: -73.180
tors. eta vs tors. theta energy: -132.973
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1646.440228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.440228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.440228 (E_RNA)
where:
Base-Base interactions energy: -1143.366
where: short stacking energy: -476.557
Base-Backbone interact. energy: -0.800
local terms energy: -502.274706
where:
bonds (distance) C4'-P energy: -101.979
bonds (distance) P-C4' energy: -101.584
flat angles C4'-P-C4' energy: -98.342
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -133.759
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: 244
Temperature: 1.150000
Total energy: -1591.417628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.417628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.417628 (E_RNA)
where:
Base-Base interactions energy: -1128.796
where: short stacking energy: -457.385
Base-Backbone interact. energy: -0.889
local terms energy: -461.732498
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -102.308
flat angles P-C4'-P energy: -57.531
tors. eta vs tors. theta energy: -113.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1351.719696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.719696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.719696 (E_RNA)
where:
Base-Base interactions energy: -937.472
where: short stacking energy: -411.275
Base-Backbone interact. energy: 4.937
local terms energy: -419.184812
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -82.579
flat angles C4'-P-C4' energy: -100.366
flat angles P-C4'-P energy: -54.866
tors. eta vs tors. theta energy: -97.122
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: 244
Temperature: 1.250000
Total energy: -1227.891927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.891927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.891927 (E_RNA)
where:
Base-Base interactions energy: -792.879
where: short stacking energy: -341.045
Base-Backbone interact. energy: -1.949
local terms energy: -433.064801
where:
bonds (distance) C4'-P energy: -83.613
bonds (distance) P-C4' energy: -101.155
flat angles C4'-P-C4' energy: -107.185
flat angles P-C4'-P energy: -55.457
tors. eta vs tors. theta energy: -85.654
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: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -987.274982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.274982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.274982 (E_RNA)
where:
Base-Base interactions energy: -636.458
where: short stacking energy: -274.746
Base-Backbone interact. energy: 0.080
local terms energy: -350.897255
where:
bonds (distance) C4'-P energy: -79.085
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -91.018
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: -45.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -780.558360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.558360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.558360 (E_RNA)
where:
Base-Base interactions energy: -448.821
where: short stacking energy: -220.287
Base-Backbone interact. energy: -0.229
local terms energy: -331.508377
where:
bonds (distance) C4'-P energy: -76.595
bonds (distance) P-C4' energy: -95.567
flat angles C4'-P-C4' energy: -76.071
flat angles P-C4'-P energy: -57.983
tors. eta vs tors. theta energy: -25.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1928.303345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.303345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.303345 (E_RNA)
where:
Base-Base interactions energy: -1371.212
where: short stacking energy: -549.527
Base-Backbone interact. energy: -2.263
local terms energy: -554.828386
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -121.366
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -147.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1846.485025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.485025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.485025 (E_RNA)
where:
Base-Base interactions energy: -1289.254
where: short stacking energy: -550.398
Base-Backbone interact. energy: -0.718
local terms energy: -556.512668
where:
bonds (distance) C4'-P energy: -105.145
bonds (distance) P-C4' energy: -104.677
flat angles C4'-P-C4' energy: -118.966
flat angles P-C4'-P energy: -78.624
tors. eta vs tors. theta energy: -149.101
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: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1747.282855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.282855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.282855 (E_RNA)
where:
Base-Base interactions energy: -1232.068
where: short stacking energy: -504.398
Base-Backbone interact. energy: -4.634
local terms energy: -510.580914
where:
bonds (distance) C4'-P energy: -97.714
bonds (distance) P-C4' energy: -109.978
flat angles C4'-P-C4' energy: -116.300
flat angles P-C4'-P energy: -59.215
tors. eta vs tors. theta energy: -127.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1685.863411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.863411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.863411 (E_RNA)
where:
Base-Base interactions energy: -1178.824
where: short stacking energy: -496.967
Base-Backbone interact. energy: -3.027
local terms energy: -504.012034
where:
bonds (distance) C4'-P energy: -76.600
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -113.661
flat angles P-C4'-P energy: -75.727
tors. eta vs tors. theta energy: -144.407
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: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1658.882639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.882639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.882639 (E_RNA)
where:
Base-Base interactions energy: -1169.276
where: short stacking energy: -484.054
Base-Backbone interact. energy: 1.481
local terms energy: -491.087471
where:
bonds (distance) C4'-P energy: -90.431
bonds (distance) P-C4' energy: -93.114
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -65.299
tors. eta vs tors. theta energy: -127.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1582.153373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.153373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.153373 (E_RNA)
where:
Base-Base interactions energy: -1095.211
where: short stacking energy: -467.990
Base-Backbone interact. energy: -2.338
local terms energy: -484.604550
where:
bonds (distance) C4'-P energy: -76.946
bonds (distance) P-C4' energy: -112.456
flat angles C4'-P-C4' energy: -98.997
flat angles P-C4'-P energy: -77.623
tors. eta vs tors. theta energy: -118.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1366.048769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.048769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.048769 (E_RNA)
where:
Base-Base interactions energy: -943.129
where: short stacking energy: -420.851
Base-Backbone interact. energy: 2.112
local terms energy: -425.031390
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -78.741
flat angles C4'-P-C4' energy: -102.964
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -103.013
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1291.400165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.400165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.400165 (E_RNA)
where:
Base-Base interactions energy: -859.091
where: short stacking energy: -391.525
Base-Backbone interact. energy: 0.079
local terms energy: -432.388030
where:
bonds (distance) C4'-P energy: -83.335
bonds (distance) P-C4' energy: -84.561
flat angles C4'-P-C4' energy: -94.712
flat angles P-C4'-P energy: -64.911
tors. eta vs tors. theta energy: -104.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1014.700654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.700654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.700654 (E_RNA)
where:
Base-Base interactions energy: -650.037
where: short stacking energy: -302.485
Base-Backbone interact. energy: -1.674
local terms energy: -362.989279
where:
bonds (distance) C4'-P energy: -95.770
bonds (distance) P-C4' energy: -89.101
flat angles C4'-P-C4' energy: -88.134
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -50.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -794.968639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.968639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.968639 (E_RNA)
where:
Base-Base interactions energy: -466.943
where: short stacking energy: -211.586
Base-Backbone interact. energy: 1.919
local terms energy: -329.944672
where:
bonds (distance) C4'-P energy: -93.753
bonds (distance) P-C4' energy: -85.237
flat angles C4'-P-C4' energy: -83.330
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1925.466446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.466446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.466446 (E_RNA)
where:
Base-Base interactions energy: -1358.247
where: short stacking energy: -554.906
Base-Backbone interact. energy: -0.881
local terms energy: -566.338823
where:
bonds (distance) C4'-P energy: -101.290
bonds (distance) P-C4' energy: -103.633
flat angles C4'-P-C4' energy: -123.846
flat angles P-C4'-P energy: -82.294
tors. eta vs tors. theta energy: -155.275
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: 246
Temperature: 0.950000
Total energy: -1828.938933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.938933 (E_RNA)
where:
Base-Base interactions energy: -1286.038
where: short stacking energy: -530.920
Base-Backbone interact. energy: -1.318
local terms energy: -541.582382
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -100.034
flat angles C4'-P-C4' energy: -116.970
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -141.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1760.618191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.618191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.618191 (E_RNA)
where:
Base-Base interactions energy: -1226.389
where: short stacking energy: -514.697
Base-Backbone interact. energy: -2.747
local terms energy: -531.482361
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -93.553
flat angles C4'-P-C4' energy: -112.352
flat angles P-C4'-P energy: -71.382
tors. eta vs tors. theta energy: -145.812
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: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1713.077020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.077020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.077020 (E_RNA)
where:
Base-Base interactions energy: -1221.260
where: short stacking energy: -473.001
Base-Backbone interact. energy: -0.220
local terms energy: -491.597036
where:
bonds (distance) C4'-P energy: -82.181
bonds (distance) P-C4' energy: -106.685
flat angles C4'-P-C4' energy: -112.278
flat angles P-C4'-P energy: -65.435
tors. eta vs tors. theta energy: -125.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1635.877536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.877536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.877536 (E_RNA)
where:
Base-Base interactions energy: -1145.998
where: short stacking energy: -484.492
Base-Backbone interact. energy: 4.802
local terms energy: -494.681572
where:
bonds (distance) C4'-P energy: -96.181
bonds (distance) P-C4' energy: -92.272
flat angles C4'-P-C4' energy: -112.442
flat angles P-C4'-P energy: -71.569
tors. eta vs tors. theta energy: -122.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1644.358023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.358023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.358023 (E_RNA)
where:
Base-Base interactions energy: -1156.061
where: short stacking energy: -480.914
Base-Backbone interact. energy: -0.850
local terms energy: -487.446756
where:
bonds (distance) C4'-P energy: -98.975
bonds (distance) P-C4' energy: -79.104
flat angles C4'-P-C4' energy: -106.311
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -125.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1377.808637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.808637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.808637 (E_RNA)
where:
Base-Base interactions energy: -933.907
where: short stacking energy: -380.571
Base-Backbone interact. energy: -1.384
local terms energy: -442.518110
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -91.960
flat angles C4'-P-C4' energy: -97.184
flat angles P-C4'-P energy: -72.822
tors. eta vs tors. theta energy: -89.532
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: 246
Temperature: 1.250000
Total energy: -1288.320438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.320438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.320438 (E_RNA)
where:
Base-Base interactions energy: -876.389
where: short stacking energy: -408.481
Base-Backbone interact. energy: 0.823
local terms energy: -412.755109
where:
bonds (distance) C4'-P energy: -78.253
bonds (distance) P-C4' energy: -80.762
flat angles C4'-P-C4' energy: -89.203
flat angles P-C4'-P energy: -61.153
tors. eta vs tors. theta energy: -103.383
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: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -987.025432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.025432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.025432 (E_RNA)
where:
Base-Base interactions energy: -654.840
where: short stacking energy: -289.231
Base-Backbone interact. energy: -0.713
local terms energy: -331.473080
where:
bonds (distance) C4'-P energy: -77.433
bonds (distance) P-C4' energy: -93.185
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -42.981
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: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -799.805869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.805869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.805869 (E_RNA)
where:
Base-Base interactions energy: -475.028
where: short stacking energy: -226.108
Base-Backbone interact. energy: -1.329
local terms energy: -323.449136
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -87.238
flat angles C4'-P-C4' energy: -87.794
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -31.634
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: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1904.025944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.025944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.025944 (E_RNA)
where:
Base-Base interactions energy: -1343.172
where: short stacking energy: -552.694
Base-Backbone interact. energy: 2.939
local terms energy: -563.792421
where:
bonds (distance) C4'-P energy: -103.011
bonds (distance) P-C4' energy: -113.871
flat angles C4'-P-C4' energy: -125.275
flat angles P-C4'-P energy: -73.918
tors. eta vs tors. theta energy: -147.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1852.924524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.924524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.924524 (E_RNA)
where:
Base-Base interactions energy: -1318.119
where: short stacking energy: -539.936
Base-Backbone interact. energy: -4.231
local terms energy: -530.575241
where:
bonds (distance) C4'-P energy: -92.723
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -72.659
tors. eta vs tors. theta energy: -140.423
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: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1738.471686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.471686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.471686 (E_RNA)
where:
Base-Base interactions energy: -1218.434
where: short stacking energy: -509.629
Base-Backbone interact. energy: -4.635
local terms energy: -515.402360
where:
bonds (distance) C4'-P energy: -93.254
bonds (distance) P-C4' energy: -101.826
flat angles C4'-P-C4' energy: -107.469
flat angles P-C4'-P energy: -74.180
tors. eta vs tors. theta energy: -138.673
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: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1735.605472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.605472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.605472 (E_RNA)
where:
Base-Base interactions energy: -1216.606
where: short stacking energy: -493.990
Base-Backbone interact. energy: -2.241
local terms energy: -516.758481
where:
bonds (distance) C4'-P energy: -96.585
bonds (distance) P-C4' energy: -104.299
flat angles C4'-P-C4' energy: -113.943
flat angles P-C4'-P energy: -68.960
tors. eta vs tors. theta energy: -132.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1616.367995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.367995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.367995 (E_RNA)
where:
Base-Base interactions energy: -1141.026
where: short stacking energy: -471.168
Base-Backbone interact. energy: 2.095
local terms energy: -477.436431
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -99.434
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -66.110
tors. eta vs tors. theta energy: -110.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1638.086091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.086091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.086091 (E_RNA)
where:
Base-Base interactions energy: -1141.627
where: short stacking energy: -473.998
Base-Backbone interact. energy: -1.594
local terms energy: -494.864838
where:
bonds (distance) C4'-P energy: -93.848
bonds (distance) P-C4' energy: -109.396
flat angles C4'-P-C4' energy: -108.280
flat angles P-C4'-P energy: -63.723
tors. eta vs tors. theta energy: -119.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1343.814166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.814166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.814166 (E_RNA)
where:
Base-Base interactions energy: -918.074
where: short stacking energy: -370.677
Base-Backbone interact. energy: -2.052
local terms energy: -423.688032
where:
bonds (distance) C4'-P energy: -79.083
bonds (distance) P-C4' energy: -107.912
flat angles C4'-P-C4' energy: -97.116
flat angles P-C4'-P energy: -65.550
tors. eta vs tors. theta energy: -74.027
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1269.084001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.084001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.084001 (E_RNA)
where:
Base-Base interactions energy: -823.467
where: short stacking energy: -346.786
Base-Backbone interact. energy: -0.900
local terms energy: -444.717791
where:
bonds (distance) C4'-P energy: -88.207
bonds (distance) P-C4' energy: -104.667
flat angles C4'-P-C4' energy: -99.749
flat angles P-C4'-P energy: -71.592
tors. eta vs tors. theta energy: -80.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -994.828114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.828114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.828114 (E_RNA)
where:
Base-Base interactions energy: -639.275
where: short stacking energy: -288.071
Base-Backbone interact. energy: -3.074
local terms energy: -352.478800
where:
bonds (distance) C4'-P energy: -73.668
bonds (distance) P-C4' energy: -86.612
flat angles C4'-P-C4' energy: -94.252
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -49.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -787.842290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.842290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.842290 (E_RNA)
where:
Base-Base interactions energy: -465.676
where: short stacking energy: -221.537
Base-Backbone interact. energy: -2.648
local terms energy: -319.518316
where:
bonds (distance) C4'-P energy: -86.040
bonds (distance) P-C4' energy: -80.537
flat angles C4'-P-C4' energy: -77.574
flat angles P-C4'-P energy: -60.310
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1933.896366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.896366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.896366 (E_RNA)
where:
Base-Base interactions energy: -1354.087
where: short stacking energy: -558.329
Base-Backbone interact. energy: 1.699
local terms energy: -581.508612
where:
bonds (distance) C4'-P energy: -109.319
bonds (distance) P-C4' energy: -121.154
flat angles C4'-P-C4' energy: -115.992
flat angles P-C4'-P energy: -89.248
tors. eta vs tors. theta energy: -145.795
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: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1848.913558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.913558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.913558 (E_RNA)
where:
Base-Base interactions energy: -1310.048
where: short stacking energy: -533.609
Base-Backbone interact. energy: -4.501
local terms energy: -534.364258
where:
bonds (distance) C4'-P energy: -109.263
bonds (distance) P-C4' energy: -101.035
flat angles C4'-P-C4' energy: -118.453
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -133.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1769.254315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.254315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.254315 (E_RNA)
where:
Base-Base interactions energy: -1226.687
where: short stacking energy: -496.559
Base-Backbone interact. energy: -0.264
local terms energy: -542.303705
where:
bonds (distance) C4'-P energy: -105.559
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -85.866
tors. eta vs tors. theta energy: -142.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1709.040657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.040657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.040657 (E_RNA)
where:
Base-Base interactions energy: -1202.135
where: short stacking energy: -498.855
Base-Backbone interact. energy: 7.411
local terms energy: -514.317365
where:
bonds (distance) C4'-P energy: -76.582
bonds (distance) P-C4' energy: -103.122
flat angles C4'-P-C4' energy: -112.210
flat angles P-C4'-P energy: -78.991
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: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1682.261183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.261183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.261183 (E_RNA)
where:
Base-Base interactions energy: -1167.788
where: short stacking energy: -483.451
Base-Backbone interact. energy: -1.553
local terms energy: -512.920707
where:
bonds (distance) C4'-P energy: -95.418
bonds (distance) P-C4' energy: -105.219
flat angles C4'-P-C4' energy: -97.695
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -130.870
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: 248
Temperature: 1.150000
Total energy: -1561.144066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.144066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.144066 (E_RNA)
where:
Base-Base interactions energy: -1109.725
where: short stacking energy: -446.847
Base-Backbone interact. energy: -2.985
local terms energy: -448.434477
where:
bonds (distance) C4'-P energy: -93.303
bonds (distance) P-C4' energy: -77.054
flat angles C4'-P-C4' energy: -107.362
flat angles P-C4'-P energy: -52.752
tors. eta vs tors. theta energy: -117.962
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: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1369.140656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.140656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.140656 (E_RNA)
where:
Base-Base interactions energy: -951.737
where: short stacking energy: -381.661
Base-Backbone interact. energy: -1.512
local terms energy: -415.891491
where:
bonds (distance) C4'-P energy: -71.879
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -101.280
flat angles P-C4'-P energy: -58.834
tors. eta vs tors. theta energy: -88.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1240.659473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.659473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.659473 (E_RNA)
where:
Base-Base interactions energy: -846.704
where: short stacking energy: -372.337
Base-Backbone interact. energy: 1.230
local terms energy: -395.185401
where:
bonds (distance) C4'-P energy: -90.915
bonds (distance) P-C4' energy: -88.169
flat angles C4'-P-C4' energy: -90.754
flat angles P-C4'-P energy: -52.512
tors. eta vs tors. theta energy: -72.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1004.987209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.987209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.987209 (E_RNA)
where:
Base-Base interactions energy: -658.581
where: short stacking energy: -293.203
Base-Backbone interact. energy: -1.488
local terms energy: -344.918435
where:
bonds (distance) C4'-P energy: -79.728
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -78.696
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -860.377470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.377470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.377470 (E_RNA)
where:
Base-Base interactions energy: -534.457
where: short stacking energy: -257.485
Base-Backbone interact. energy: 3.093
local terms energy: -329.013260
where:
bonds (distance) C4'-P energy: -69.042
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -43.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1942.653309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.653309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.653309 (E_RNA)
where:
Base-Base interactions energy: -1379.792
where: short stacking energy: -557.679
Base-Backbone interact. energy: -2.546
local terms energy: -560.315109
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -128.109
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -146.113
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: 249
Temperature: 0.950000
Total energy: -1842.175817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.175817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.175817 (E_RNA)
where:
Base-Base interactions energy: -1284.864
where: short stacking energy: -532.149
Base-Backbone interact. energy: 2.785
local terms energy: -560.097003
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -102.663
flat angles C4'-P-C4' energy: -120.307
flat angles P-C4'-P energy: -86.715
tors. eta vs tors. theta energy: -149.612
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1748.617676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.617676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.617676 (E_RNA)
where:
Base-Base interactions energy: -1240.184
where: short stacking energy: -522.728
Base-Backbone interact. energy: 2.107
local terms energy: -510.540434
where:
bonds (distance) C4'-P energy: -96.599
bonds (distance) P-C4' energy: -99.939
flat angles C4'-P-C4' energy: -107.491
flat angles P-C4'-P energy: -69.628
tors. eta vs tors. theta energy: -136.883
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: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1715.341116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.341116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.341116 (E_RNA)
where:
Base-Base interactions energy: -1196.361
where: short stacking energy: -489.558
Base-Backbone interact. energy: -3.440
local terms energy: -515.540428
where:
bonds (distance) C4'-P energy: -93.753
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -107.663
flat angles P-C4'-P energy: -80.943
tors. eta vs tors. theta energy: -134.846
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: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1646.164721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.164721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.164721 (E_RNA)
where:
Base-Base interactions energy: -1142.918
where: short stacking energy: -468.418
Base-Backbone interact. energy: -1.621
local terms energy: -501.625737
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -95.027
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -70.754
tors. eta vs tors. theta energy: -119.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1582.419194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.419194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.419194 (E_RNA)
where:
Base-Base interactions energy: -1120.280
where: short stacking energy: -458.956
Base-Backbone interact. energy: -1.439
local terms energy: -460.699785
where:
bonds (distance) C4'-P energy: -93.914
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -119.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1369.792188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.792188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.792188 (E_RNA)
where:
Base-Base interactions energy: -961.161
where: short stacking energy: -384.972
Base-Backbone interact. energy: 4.700
local terms energy: -413.332084
where:
bonds (distance) C4'-P energy: -102.038
bonds (distance) P-C4' energy: -83.740
flat angles C4'-P-C4' energy: -89.356
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -87.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1257.675358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.675358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.675358 (E_RNA)
where:
Base-Base interactions energy: -849.847
where: short stacking energy: -367.414
Base-Backbone interact. energy: -0.536
local terms energy: -407.292403
where:
bonds (distance) C4'-P energy: -79.618
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -81.916
flat angles P-C4'-P energy: -69.914
tors. eta vs tors. theta energy: -86.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1015.297305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.297305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.297305 (E_RNA)
where:
Base-Base interactions energy: -650.873
where: short stacking energy: -311.756
Base-Backbone interact. energy: 2.596
local terms energy: -367.020132
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -82.692
flat angles P-C4'-P energy: -50.625
tors. eta vs tors. theta energy: -46.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -832.482162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.482162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.482162 (E_RNA)
where:
Base-Base interactions energy: -500.910
where: short stacking energy: -238.976
Base-Backbone interact. energy: -1.145
local terms energy: -330.426742
where:
bonds (distance) C4'-P energy: -73.186
bonds (distance) P-C4' energy: -91.038
flat angles C4'-P-C4' energy: -82.151
flat angles P-C4'-P energy: -58.217
tors. eta vs tors. theta energy: -25.835
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: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1929.154842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.154842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.154842 (E_RNA)
where:
Base-Base interactions energy: -1373.749
where: short stacking energy: -565.582
Base-Backbone interact. energy: -1.141
local terms energy: -554.265226
where:
bonds (distance) C4'-P energy: -109.162
bonds (distance) P-C4' energy: -107.982
flat angles C4'-P-C4' energy: -113.138
flat angles P-C4'-P energy: -75.661
tors. eta vs tors. theta energy: -148.322
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: 250
Temperature: 0.950000
Total energy: -1892.257807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.257807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.257807 (E_RNA)
where:
Base-Base interactions energy: -1323.631
where: short stacking energy: -532.208
Base-Backbone interact. energy: -4.131
local terms energy: -564.495443
where:
bonds (distance) C4'-P energy: -104.708
bonds (distance) P-C4' energy: -103.834
flat angles C4'-P-C4' energy: -118.496
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -157.848
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: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1770.818021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.818021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.818021 (E_RNA)
where:
Base-Base interactions energy: -1237.229
where: short stacking energy: -538.384
Base-Backbone interact. energy: -2.589
local terms energy: -530.999697
where:
bonds (distance) C4'-P energy: -90.875
bonds (distance) P-C4' energy: -109.181
flat angles C4'-P-C4' energy: -108.172
flat angles P-C4'-P energy: -69.706
tors. eta vs tors. theta energy: -153.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1684.838972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.838972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.838972 (E_RNA)
where:
Base-Base interactions energy: -1166.558
where: short stacking energy: -496.482
Base-Backbone interact. energy: -2.408
local terms energy: -515.873050
where:
bonds (distance) C4'-P energy: -98.448
bonds (distance) P-C4' energy: -97.264
flat angles C4'-P-C4' energy: -112.641
flat angles P-C4'-P energy: -75.025
tors. eta vs tors. theta energy: -132.495
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1667.107907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.107907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.107907 (E_RNA)
where:
Base-Base interactions energy: -1158.476
where: short stacking energy: -485.546
Base-Backbone interact. energy: -2.599
local terms energy: -506.032688
where:
bonds (distance) C4'-P energy: -79.540
bonds (distance) P-C4' energy: -94.089
flat angles C4'-P-C4' energy: -111.344
flat angles P-C4'-P energy: -80.692
tors. eta vs tors. theta energy: -140.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1631.255972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.255972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.255972 (E_RNA)
where:
Base-Base interactions energy: -1129.468
where: short stacking energy: -458.686
Base-Backbone interact. energy: 0.588
local terms energy: -502.375697
where:
bonds (distance) C4'-P energy: -97.599
bonds (distance) P-C4' energy: -111.102
flat angles C4'-P-C4' energy: -100.341
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -127.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1334.711139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.711139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.711139 (E_RNA)
where:
Base-Base interactions energy: -896.869
where: short stacking energy: -356.724
Base-Backbone interact. energy: -1.691
local terms energy: -436.151553
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -88.215
flat angles C4'-P-C4' energy: -102.709
flat angles P-C4'-P energy: -66.993
tors. eta vs tors. theta energy: -80.030
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: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1248.955892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.955892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.955892 (E_RNA)
where:
Base-Base interactions energy: -837.393
where: short stacking energy: -359.377
Base-Backbone interact. energy: 1.611
local terms energy: -413.174805
where:
bonds (distance) C4'-P energy: -80.661
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -96.725
flat angles P-C4'-P energy: -58.200
tors. eta vs tors. theta energy: -74.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1023.219314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.219314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.219314 (E_RNA)
where:
Base-Base interactions energy: -657.076
where: short stacking energy: -293.282
Base-Backbone interact. energy: -0.108
local terms energy: -366.035066
where:
bonds (distance) C4'-P energy: -79.841
bonds (distance) P-C4' energy: -102.768
flat angles C4'-P-C4' energy: -94.046
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -45.745
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: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -866.524156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.524156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.524156 (E_RNA)
where:
Base-Base interactions energy: -510.596
where: short stacking energy: -249.263
Base-Backbone interact. energy: 6.655
local terms energy: -362.583194
where:
bonds (distance) C4'-P energy: -91.417
bonds (distance) P-C4' energy: -91.885
flat angles C4'-P-C4' energy: -83.682
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1929.595175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.595175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.595175 (E_RNA)
where:
Base-Base interactions energy: -1362.033
where: short stacking energy: -555.358
Base-Backbone interact. energy: 3.569
local terms energy: -571.131153
where:
bonds (distance) C4'-P energy: -115.724
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -124.325
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -145.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1862.897488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.897488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.897488 (E_RNA)
where:
Base-Base interactions energy: -1326.003
where: short stacking energy: -523.450
Base-Backbone interact. energy: -3.137
local terms energy: -533.757317
where:
bonds (distance) C4'-P energy: -85.602
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -114.787
flat angles P-C4'-P energy: -78.556
tors. eta vs tors. theta energy: -141.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1799.800989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.800989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.800989 (E_RNA)
where:
Base-Base interactions energy: -1258.899
where: short stacking energy: -534.593
Base-Backbone interact. energy: -0.765
local terms energy: -540.137468
where:
bonds (distance) C4'-P energy: -102.827
bonds (distance) P-C4' energy: -96.014
flat angles C4'-P-C4' energy: -119.183
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -141.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1714.944104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.944104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.944104 (E_RNA)
where:
Base-Base interactions energy: -1205.467
where: short stacking energy: -520.882
Base-Backbone interact. energy: -0.168
local terms energy: -509.309654
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -92.429
flat angles C4'-P-C4' energy: -111.520
flat angles P-C4'-P energy: -77.684
tors. eta vs tors. theta energy: -135.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1664.770042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.770042 (E_RNA)
where:
Base-Base interactions energy: -1182.461
where: short stacking energy: -477.178
Base-Backbone interact. energy: -0.583
local terms energy: -481.726281
where:
bonds (distance) C4'-P energy: -95.126
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -120.915
flat angles P-C4'-P energy: -76.938
tors. eta vs tors. theta energy: -108.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1610.830989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.830989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.830989 (E_RNA)
where:
Base-Base interactions energy: -1110.504
where: short stacking energy: -478.430
Base-Backbone interact. energy: -4.257
local terms energy: -496.070496
where:
bonds (distance) C4'-P energy: -80.753
bonds (distance) P-C4' energy: -104.955
flat angles C4'-P-C4' energy: -110.695
flat angles P-C4'-P energy: -75.041
tors. eta vs tors. theta energy: -124.626
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: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1380.690716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.690716 (E_RNA)
where:
Base-Base interactions energy: -942.605
where: short stacking energy: -398.147
Base-Backbone interact. energy: -0.771
local terms energy: -437.315113
where:
bonds (distance) C4'-P energy: -93.979
bonds (distance) P-C4' energy: -91.523
flat angles C4'-P-C4' energy: -95.465
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -85.335
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: 251
Temperature: 1.250000
Total energy: -1282.301856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.301856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.301856 (E_RNA)
where:
Base-Base interactions energy: -893.620
where: short stacking energy: -389.880
Base-Backbone interact. energy: -1.514
local terms energy: -387.167206
where:
bonds (distance) C4'-P energy: -85.509
bonds (distance) P-C4' energy: -88.946
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -86.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -973.973912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.973912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.973912 (E_RNA)
where:
Base-Base interactions energy: -636.796
where: short stacking energy: -270.199
Base-Backbone interact. energy: -0.760
local terms energy: -336.418381
where:
bonds (distance) C4'-P energy: -67.940
bonds (distance) P-C4' energy: -90.425
flat angles C4'-P-C4' energy: -76.120
flat angles P-C4'-P energy: -55.222
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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -851.958391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.958391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.958391 (E_RNA)
where:
Base-Base interactions energy: -522.859
where: short stacking energy: -258.946
Base-Backbone interact. energy: 3.337
local terms energy: -332.436734
where:
bonds (distance) C4'-P energy: -79.541
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -84.004
flat angles P-C4'-P energy: -50.037
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1920.793683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.793683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.793683 (E_RNA)
where:
Base-Base interactions energy: -1358.033
where: short stacking energy: -560.049
Base-Backbone interact. energy: 7.924
local terms energy: -570.685132
where:
bonds (distance) C4'-P energy: -108.065
bonds (distance) P-C4' energy: -106.021
flat angles C4'-P-C4' energy: -119.638
flat angles P-C4'-P energy: -88.208
tors. eta vs tors. theta energy: -148.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1844.404052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.404052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.404052 (E_RNA)
where:
Base-Base interactions energy: -1296.713
where: short stacking energy: -547.468
Base-Backbone interact. energy: -2.137
local terms energy: -545.553853
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -99.984
flat angles C4'-P-C4' energy: -106.996
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -156.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1761.153650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.153650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.153650 (E_RNA)
where:
Base-Base interactions energy: -1223.888
where: short stacking energy: -526.690
Base-Backbone interact. energy: -4.660
local terms energy: -532.605343
where:
bonds (distance) C4'-P energy: -101.945
bonds (distance) P-C4' energy: -97.454
flat angles C4'-P-C4' energy: -110.010
flat angles P-C4'-P energy: -79.025
tors. eta vs tors. theta energy: -144.170
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: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1684.771594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.771594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.771594 (E_RNA)
where:
Base-Base interactions energy: -1177.102
where: short stacking energy: -474.666
Base-Backbone interact. energy: -3.292
local terms energy: -504.377419
where:
bonds (distance) C4'-P energy: -94.159
bonds (distance) P-C4' energy: -100.653
flat angles C4'-P-C4' energy: -115.235
flat angles P-C4'-P energy: -68.800
tors. eta vs tors. theta energy: -125.530
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: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1668.345325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.345325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.345325 (E_RNA)
where:
Base-Base interactions energy: -1175.793
where: short stacking energy: -479.958
Base-Backbone interact. energy: 3.710
local terms energy: -496.262536
where:
bonds (distance) C4'-P energy: -95.240
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -108.104
flat angles P-C4'-P energy: -78.317
tors. eta vs tors. theta energy: -123.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1600.762571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.762571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.762571 (E_RNA)
where:
Base-Base interactions energy: -1113.080
where: short stacking energy: -459.405
Base-Backbone interact. energy: -4.977
local terms energy: -482.705028
where:
bonds (distance) C4'-P energy: -99.242
bonds (distance) P-C4' energy: -95.989
flat angles C4'-P-C4' energy: -94.838
flat angles P-C4'-P energy: -64.723
tors. eta vs tors. theta energy: -127.913
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1343.755002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.755002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.755002 (E_RNA)
where:
Base-Base interactions energy: -910.675
where: short stacking energy: -388.963
Base-Backbone interact. energy: -3.056
local terms energy: -430.024023
where:
bonds (distance) C4'-P energy: -94.375
bonds (distance) P-C4' energy: -92.294
flat angles C4'-P-C4' energy: -101.313
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -80.003
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: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1221.459824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.459824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.459824 (E_RNA)
where:
Base-Base interactions energy: -816.317
where: short stacking energy: -349.094
Base-Backbone interact. energy: -2.472
local terms energy: -402.670579
where:
bonds (distance) C4'-P energy: -72.256
bonds (distance) P-C4' energy: -84.803
flat angles C4'-P-C4' energy: -97.909
flat angles P-C4'-P energy: -67.283
tors. eta vs tors. theta energy: -80.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -994.147430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.147430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.147430 (E_RNA)
where:
Base-Base interactions energy: -648.424
where: short stacking energy: -306.772
Base-Backbone interact. energy: 7.221
local terms energy: -352.944566
where:
bonds (distance) C4'-P energy: -84.271
bonds (distance) P-C4' energy: -75.646
flat angles C4'-P-C4' energy: -82.896
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -63.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -845.207970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.207970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.207970 (E_RNA)
where:
Base-Base interactions energy: -532.619
where: short stacking energy: -237.794
Base-Backbone interact. energy: -0.863
local terms energy: -311.725807
where:
bonds (distance) C4'-P energy: -89.359
bonds (distance) P-C4' energy: -78.548
flat angles C4'-P-C4' energy: -81.408
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1926.457088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.457088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.457088 (E_RNA)
where:
Base-Base interactions energy: -1354.866
where: short stacking energy: -543.713
Base-Backbone interact. energy: -1.460
local terms energy: -570.131356
where:
bonds (distance) C4'-P energy: -105.775
bonds (distance) P-C4' energy: -121.414
flat angles C4'-P-C4' energy: -122.751
flat angles P-C4'-P energy: -78.510
tors. eta vs tors. theta energy: -141.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1852.786442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.786442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.786442 (E_RNA)
where:
Base-Base interactions energy: -1301.950
where: short stacking energy: -526.922
Base-Backbone interact. energy: 2.708
local terms energy: -553.543642
where:
bonds (distance) C4'-P energy: -96.976
bonds (distance) P-C4' energy: -112.493
flat angles C4'-P-C4' energy: -118.024
flat angles P-C4'-P energy: -80.530
tors. eta vs tors. theta energy: -145.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1811.060008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.060008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.060008 (E_RNA)
where:
Base-Base interactions energy: -1265.719
where: short stacking energy: -557.130
Base-Backbone interact. energy: -2.089
local terms energy: -543.252258
where:
bonds (distance) C4'-P energy: -104.915
bonds (distance) P-C4' energy: -93.917
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -154.170
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1676.307865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.307865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.307865 (E_RNA)
where:
Base-Base interactions energy: -1161.656
where: short stacking energy: -481.671
Base-Backbone interact. energy: -0.990
local terms energy: -513.662027
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -100.578
flat angles C4'-P-C4' energy: -112.938
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -138.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1650.825464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.825464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.825464 (E_RNA)
where:
Base-Base interactions energy: -1164.905
where: short stacking energy: -473.032
Base-Backbone interact. energy: -3.485
local terms energy: -482.435456
where:
bonds (distance) C4'-P energy: -83.934
bonds (distance) P-C4' energy: -96.002
flat angles C4'-P-C4' energy: -109.310
flat angles P-C4'-P energy: -73.891
tors. eta vs tors. theta energy: -119.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1607.576993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.576993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.576993 (E_RNA)
where:
Base-Base interactions energy: -1119.336
where: short stacking energy: -473.578
Base-Backbone interact. energy: -1.808
local terms energy: -486.432811
where:
bonds (distance) C4'-P energy: -77.542
bonds (distance) P-C4' energy: -110.443
flat angles C4'-P-C4' energy: -103.165
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -119.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1408.614740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.614740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.614740 (E_RNA)
where:
Base-Base interactions energy: -964.091
where: short stacking energy: -405.292
Base-Backbone interact. energy: 1.142
local terms energy: -445.666667
where:
bonds (distance) C4'-P energy: -100.733
bonds (distance) P-C4' energy: -91.448
flat angles C4'-P-C4' energy: -96.648
flat angles P-C4'-P energy: -69.566
tors. eta vs tors. theta energy: -87.271
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: 253
Temperature: 1.250000
Total energy: -1261.839979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.839979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.839979 (E_RNA)
where:
Base-Base interactions energy: -819.612
where: short stacking energy: -365.433
Base-Backbone interact. energy: 1.444
local terms energy: -443.671653
where:
bonds (distance) C4'-P energy: -94.762
bonds (distance) P-C4' energy: -93.850
flat angles C4'-P-C4' energy: -90.616
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -96.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -992.099824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.099824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.099824 (E_RNA)
where:
Base-Base interactions energy: -620.812
where: short stacking energy: -325.862
Base-Backbone interact. energy: 2.388
local terms energy: -373.675984
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -96.636
flat angles C4'-P-C4' energy: -98.867
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -66.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -818.557724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.557724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.557724 (E_RNA)
where:
Base-Base interactions energy: -491.192
where: short stacking energy: -218.117
Base-Backbone interact. energy: 2.872
local terms energy: -330.237514
where:
bonds (distance) C4'-P energy: -77.208
bonds (distance) P-C4' energy: -90.825
flat angles C4'-P-C4' energy: -93.760
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1923.319615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.319615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.319615 (E_RNA)
where:
Base-Base interactions energy: -1363.177
where: short stacking energy: -541.735
Base-Backbone interact. energy: -2.659
local terms energy: -557.483672
where:
bonds (distance) C4'-P energy: -103.332
bonds (distance) P-C4' energy: -98.408
flat angles C4'-P-C4' energy: -120.820
flat angles P-C4'-P energy: -81.204
tors. eta vs tors. theta energy: -153.720
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: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1846.925117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.925117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.925117 (E_RNA)
where:
Base-Base interactions energy: -1278.199
where: short stacking energy: -530.328
Base-Backbone interact. energy: -2.166
local terms energy: -566.560513
where:
bonds (distance) C4'-P energy: -102.760
bonds (distance) P-C4' energy: -108.387
flat angles C4'-P-C4' energy: -124.253
flat angles P-C4'-P energy: -85.189
tors. eta vs tors. theta energy: -145.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1819.166370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.166370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.166370 (E_RNA)
where:
Base-Base interactions energy: -1260.277
where: short stacking energy: -562.256
Base-Backbone interact. energy: 4.311
local terms energy: -563.200854
where:
bonds (distance) C4'-P energy: -103.097
bonds (distance) P-C4' energy: -105.352
flat angles C4'-P-C4' energy: -128.718
flat angles P-C4'-P energy: -81.467
tors. eta vs tors. theta energy: -144.567
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: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1683.014853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.014853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.014853 (E_RNA)
where:
Base-Base interactions energy: -1181.815
where: short stacking energy: -503.215
Base-Backbone interact. energy: 0.568
local terms energy: -501.767183
where:
bonds (distance) C4'-P energy: -97.047
bonds (distance) P-C4' energy: -89.916
flat angles C4'-P-C4' energy: -108.064
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -122.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1648.300194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.300194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.300194 (E_RNA)
where:
Base-Base interactions energy: -1157.562
where: short stacking energy: -475.681
Base-Backbone interact. energy: -3.514
local terms energy: -487.224447
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -107.818
flat angles C4'-P-C4' energy: -109.210
flat angles P-C4'-P energy: -74.505
tors. eta vs tors. theta energy: -113.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1584.440114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.440114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.440114 (E_RNA)
where:
Base-Base interactions energy: -1116.614
where: short stacking energy: -464.712
Base-Backbone interact. energy: -3.395
local terms energy: -464.431034
where:
bonds (distance) C4'-P energy: -83.910
bonds (distance) P-C4' energy: -91.583
flat angles C4'-P-C4' energy: -106.081
flat angles P-C4'-P energy: -66.369
tors. eta vs tors. theta energy: -116.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1383.878433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.878433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.878433 (E_RNA)
where:
Base-Base interactions energy: -948.911
where: short stacking energy: -413.126
Base-Backbone interact. energy: 0.131
local terms energy: -435.097925
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -95.683
flat angles C4'-P-C4' energy: -99.994
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -104.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1216.523746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.523746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.523746 (E_RNA)
where:
Base-Base interactions energy: -800.574
where: short stacking energy: -341.161
Base-Backbone interact. energy: -1.031
local terms energy: -414.918687
where:
bonds (distance) C4'-P energy: -100.964
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -104.207
flat angles P-C4'-P energy: -56.150
tors. eta vs tors. theta energy: -64.097
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -990.837536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.837536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.837536 (E_RNA)
where:
Base-Base interactions energy: -617.846
where: short stacking energy: -276.214
Base-Backbone interact. energy: -1.088
local terms energy: -371.903111
where:
bonds (distance) C4'-P energy: -96.764
bonds (distance) P-C4' energy: -89.748
flat angles C4'-P-C4' energy: -86.858
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -56.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -857.583020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.583020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.583020 (E_RNA)
where:
Base-Base interactions energy: -541.518
where: short stacking energy: -280.861
Base-Backbone interact. energy: -0.786
local terms energy: -315.279348
where:
bonds (distance) C4'-P energy: -65.936
bonds (distance) P-C4' energy: -78.384
flat angles C4'-P-C4' energy: -84.560
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: -35.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1921.198407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.198407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.198407 (E_RNA)
where:
Base-Base interactions energy: -1383.343
where: short stacking energy: -554.878
Base-Backbone interact. energy: -2.392
local terms energy: -535.463641
where:
bonds (distance) C4'-P energy: -101.048
bonds (distance) P-C4' energy: -98.305
flat angles C4'-P-C4' energy: -114.812
flat angles P-C4'-P energy: -77.222
tors. eta vs tors. theta energy: -144.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1836.663121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.663121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.663121 (E_RNA)
where:
Base-Base interactions energy: -1276.176
where: short stacking energy: -534.112
Base-Backbone interact. energy: -0.814
local terms energy: -559.672919
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -129.069
flat angles P-C4'-P energy: -82.392
tors. eta vs tors. theta energy: -148.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1791.885199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.885199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.885199 (E_RNA)
where:
Base-Base interactions energy: -1259.950
where: short stacking energy: -529.171
Base-Backbone interact. energy: -1.134
local terms energy: -530.800749
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -85.379
flat angles C4'-P-C4' energy: -116.242
flat angles P-C4'-P energy: -72.263
tors. eta vs tors. theta energy: -151.352
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: 255
Temperature: 1.050000
Total energy: -1724.913403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.913403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.913403 (E_RNA)
where:
Base-Base interactions energy: -1211.806
where: short stacking energy: -496.538
Base-Backbone interact. energy: -2.664
local terms energy: -510.443369
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -104.629
flat angles C4'-P-C4' energy: -112.179
flat angles P-C4'-P energy: -69.171
tors. eta vs tors. theta energy: -137.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1627.490736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.490736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.490736 (E_RNA)
where:
Base-Base interactions energy: -1133.263
where: short stacking energy: -469.057
Base-Backbone interact. energy: 0.134
local terms energy: -494.361327
where:
bonds (distance) C4'-P energy: -89.488
bonds (distance) P-C4' energy: -111.999
flat angles C4'-P-C4' energy: -105.804
flat angles P-C4'-P energy: -67.771
tors. eta vs tors. theta energy: -119.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1623.484447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.484447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.484447 (E_RNA)
where:
Base-Base interactions energy: -1130.321
where: short stacking energy: -466.610
Base-Backbone interact. energy: -2.335
local terms energy: -490.828666
where:
bonds (distance) C4'-P energy: -81.668
bonds (distance) P-C4' energy: -91.669
flat angles C4'-P-C4' energy: -112.612
flat angles P-C4'-P energy: -81.864
tors. eta vs tors. theta energy: -123.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1395.104426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.104426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.104426 (E_RNA)
where:
Base-Base interactions energy: -979.223
where: short stacking energy: -409.489
Base-Backbone interact. energy: -2.299
local terms energy: -413.583083
where:
bonds (distance) C4'-P energy: -76.669
bonds (distance) P-C4' energy: -91.708
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -56.291
tors. eta vs tors. theta energy: -96.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1209.513118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.513118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.513118 (E_RNA)
where:
Base-Base interactions energy: -809.815
where: short stacking energy: -368.545
Base-Backbone interact. energy: 1.211
local terms energy: -400.908874
where:
bonds (distance) C4'-P energy: -73.064
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -87.700
flat angles P-C4'-P energy: -58.494
tors. eta vs tors. theta energy: -83.043
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: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -970.022660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.022660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.022660 (E_RNA)
where:
Base-Base interactions energy: -631.316
where: short stacking energy: -289.814
Base-Backbone interact. energy: 1.086
local terms energy: -339.792626
where:
bonds (distance) C4'-P energy: -81.016
bonds (distance) P-C4' energy: -82.626
flat angles C4'-P-C4' energy: -91.670
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -44.300
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: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -832.713011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.713011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.713011 (E_RNA)
where:
Base-Base interactions energy: -501.753
where: short stacking energy: -251.866
Base-Backbone interact. energy: 0.505
local terms energy: -331.465382
where:
bonds (distance) C4'-P energy: -85.140
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -56.909
tors. eta vs tors. theta energy: -28.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1914.573660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.573660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.573660 (E_RNA)
where:
Base-Base interactions energy: -1359.922
where: short stacking energy: -531.413
Base-Backbone interact. energy: -0.829
local terms energy: -553.822956
where:
bonds (distance) C4'-P energy: -98.569
bonds (distance) P-C4' energy: -104.981
flat angles C4'-P-C4' energy: -120.308
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -146.148
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: 256
Temperature: 0.950000
Total energy: -1853.142788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.142788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.142788 (E_RNA)
where:
Base-Base interactions energy: -1299.423
where: short stacking energy: -539.578
Base-Backbone interact. energy: -4.241
local terms energy: -549.479351
where:
bonds (distance) C4'-P energy: -99.435
bonds (distance) P-C4' energy: -102.229
flat angles C4'-P-C4' energy: -115.808
flat angles P-C4'-P energy: -93.341
tors. eta vs tors. theta energy: -138.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1805.782554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.782554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.782554 (E_RNA)
where:
Base-Base interactions energy: -1234.980
where: short stacking energy: -542.523
Base-Backbone interact. energy: 0.613
local terms energy: -571.415247
where:
bonds (distance) C4'-P energy: -105.131
bonds (distance) P-C4' energy: -114.842
flat angles C4'-P-C4' energy: -112.422
flat angles P-C4'-P energy: -81.075
tors. eta vs tors. theta energy: -157.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1686.984103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.984103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.984103 (E_RNA)
where:
Base-Base interactions energy: -1189.193
where: short stacking energy: -498.334
Base-Backbone interact. energy: -2.926
local terms energy: -494.865604
where:
bonds (distance) C4'-P energy: -81.423
bonds (distance) P-C4' energy: -102.110
flat angles C4'-P-C4' energy: -112.070
flat angles P-C4'-P energy: -68.754
tors. eta vs tors. theta energy: -130.509
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: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1632.846546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.846546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.846546 (E_RNA)
where:
Base-Base interactions energy: -1129.479
where: short stacking energy: -475.830
Base-Backbone interact. energy: -0.198
local terms energy: -503.169816
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -104.883
flat angles C4'-P-C4' energy: -113.237
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -126.044
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: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1615.587391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.587391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.587391 (E_RNA)
where:
Base-Base interactions energy: -1117.776
where: short stacking energy: -463.910
Base-Backbone interact. energy: -2.645
local terms energy: -495.166191
where:
bonds (distance) C4'-P energy: -84.359
bonds (distance) P-C4' energy: -110.971
flat angles C4'-P-C4' energy: -109.847
flat angles P-C4'-P energy: -74.551
tors. eta vs tors. theta energy: -115.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1368.365465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.365465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.365465 (E_RNA)
where:
Base-Base interactions energy: -966.174
where: short stacking energy: -391.503
Base-Backbone interact. energy: -1.110
local terms energy: -401.081682
where:
bonds (distance) C4'-P energy: -71.278
bonds (distance) P-C4' energy: -91.332
flat angles C4'-P-C4' energy: -97.751
flat angles P-C4'-P energy: -59.478
tors. eta vs tors. theta energy: -81.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1257.165402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.165402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.165402 (E_RNA)
where:
Base-Base interactions energy: -825.893
where: short stacking energy: -366.100
Base-Backbone interact. energy: -0.228
local terms energy: -431.044735
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -87.417
flat angles C4'-P-C4' energy: -96.164
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -89.540
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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -935.440261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.440261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.440261 (E_RNA)
where:
Base-Base interactions energy: -584.365
where: short stacking energy: -281.260
Base-Backbone interact. energy: 0.201
local terms energy: -351.275680
where:
bonds (distance) C4'-P energy: -65.880
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -91.914
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -877.255574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.255574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.255574 (E_RNA)
where:
Base-Base interactions energy: -519.674
where: short stacking energy: -271.728
Base-Backbone interact. energy: -0.570
local terms energy: -357.012096
where:
bonds (distance) C4'-P energy: -92.345
bonds (distance) P-C4' energy: -97.080
flat angles C4'-P-C4' energy: -71.213
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -45.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1952.617233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.617233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.617233 (E_RNA)
where:
Base-Base interactions energy: -1370.835
where: short stacking energy: -542.960
Base-Backbone interact. energy: -3.103
local terms energy: -578.678981
where:
bonds (distance) C4'-P energy: -102.524
bonds (distance) P-C4' energy: -112.342
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -152.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1876.457585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.457585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.457585 (E_RNA)
where:
Base-Base interactions energy: -1324.898
where: short stacking energy: -549.243
Base-Backbone interact. energy: -0.582
local terms energy: -550.977763
where:
bonds (distance) C4'-P energy: -106.509
bonds (distance) P-C4' energy: -103.863
flat angles C4'-P-C4' energy: -127.474
flat angles P-C4'-P energy: -69.113
tors. eta vs tors. theta energy: -144.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1777.109445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.109445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.109445 (E_RNA)
where:
Base-Base interactions energy: -1226.295
where: short stacking energy: -515.855
Base-Backbone interact. energy: -1.494
local terms energy: -549.320758
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -82.389
tors. eta vs tors. theta energy: -151.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1728.786349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.786349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.786349 (E_RNA)
where:
Base-Base interactions energy: -1204.534
where: short stacking energy: -510.234
Base-Backbone interact. energy: -3.615
local terms energy: -520.637315
where:
bonds (distance) C4'-P energy: -105.842
bonds (distance) P-C4' energy: -90.175
flat angles C4'-P-C4' energy: -119.304
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -134.389
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: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1655.348895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.348895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.348895 (E_RNA)
where:
Base-Base interactions energy: -1161.530
where: short stacking energy: -495.067
Base-Backbone interact. energy: -0.472
local terms energy: -493.346901
where:
bonds (distance) C4'-P energy: -98.041
bonds (distance) P-C4' energy: -95.176
flat angles C4'-P-C4' energy: -119.934
flat angles P-C4'-P energy: -61.103
tors. eta vs tors. theta energy: -119.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1590.537187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.537187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.537187 (E_RNA)
where:
Base-Base interactions energy: -1113.444
where: short stacking energy: -473.360
Base-Backbone interact. energy: 1.220
local terms energy: -478.313559
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -97.786
flat angles C4'-P-C4' energy: -105.939
flat angles P-C4'-P energy: -71.959
tors. eta vs tors. theta energy: -123.290
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: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1392.331012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.331012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.331012 (E_RNA)
where:
Base-Base interactions energy: -936.045
where: short stacking energy: -381.638
Base-Backbone interact. energy: -2.335
local terms energy: -453.950313
where:
bonds (distance) C4'-P energy: -91.814
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -97.752
flat angles P-C4'-P energy: -63.143
tors. eta vs tors. theta energy: -95.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1254.998192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.998192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.998192 (E_RNA)
where:
Base-Base interactions energy: -850.543
where: short stacking energy: -408.899
Base-Backbone interact. energy: -1.007
local terms energy: -403.448229
where:
bonds (distance) C4'-P energy: -76.407
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -90.964
flat angles P-C4'-P energy: -50.082
tors. eta vs tors. theta energy: -98.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -963.072903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.072903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.072903 (E_RNA)
where:
Base-Base interactions energy: -635.950
where: short stacking energy: -295.132
Base-Backbone interact. energy: 3.819
local terms energy: -330.942406
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -91.909
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -46.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -811.833540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.833540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.833540 (E_RNA)
where:
Base-Base interactions energy: -471.992
where: short stacking energy: -225.556
Base-Backbone interact. energy: -1.469
local terms energy: -338.372949
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -97.814
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -47.513
tors. eta vs tors. theta energy: -26.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1946.756044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.756044 (E_RNA)
where:
Base-Base interactions energy: -1365.388
where: short stacking energy: -562.118
Base-Backbone interact. energy: -4.482
local terms energy: -576.885982
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -105.980
flat angles C4'-P-C4' energy: -119.319
flat angles P-C4'-P energy: -89.126
tors. eta vs tors. theta energy: -158.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1867.366620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.366620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.366620 (E_RNA)
where:
Base-Base interactions energy: -1325.936
where: short stacking energy: -552.024
Base-Backbone interact. energy: -4.092
local terms energy: -537.338700
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -88.539
flat angles C4'-P-C4' energy: -119.626
flat angles P-C4'-P energy: -70.573
tors. eta vs tors. theta energy: -148.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1773.330088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.330088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.330088 (E_RNA)
where:
Base-Base interactions energy: -1242.796
where: short stacking energy: -503.243
Base-Backbone interact. energy: -2.842
local terms energy: -527.692380
where:
bonds (distance) C4'-P energy: -91.314
bonds (distance) P-C4' energy: -101.392
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -81.402
tors. eta vs tors. theta energy: -140.216
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: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1705.438309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.438309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.438309 (E_RNA)
where:
Base-Base interactions energy: -1197.716
where: short stacking energy: -492.475
Base-Backbone interact. energy: 0.849
local terms energy: -508.571379
where:
bonds (distance) C4'-P energy: -91.431
bonds (distance) P-C4' energy: -109.155
flat angles C4'-P-C4' energy: -105.534
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -126.290
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1609.349273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.349273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.349273 (E_RNA)
where:
Base-Base interactions energy: -1127.578
where: short stacking energy: -464.546
Base-Backbone interact. energy: -4.144
local terms energy: -477.626974
where:
bonds (distance) C4'-P energy: -89.072
bonds (distance) P-C4' energy: -85.673
flat angles C4'-P-C4' energy: -104.795
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -121.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1612.834372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.834372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.834372 (E_RNA)
where:
Base-Base interactions energy: -1131.465
where: short stacking energy: -469.621
Base-Backbone interact. energy: -4.100
local terms energy: -477.269740
where:
bonds (distance) C4'-P energy: -85.350
bonds (distance) P-C4' energy: -89.482
flat angles C4'-P-C4' energy: -106.388
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -121.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1426.140183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.140183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.140183 (E_RNA)
where:
Base-Base interactions energy: -972.638
where: short stacking energy: -418.807
Base-Backbone interact. energy: -0.732
local terms energy: -452.770426
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -85.046
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -77.017
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1289.842616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.842616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.842616 (E_RNA)
where:
Base-Base interactions energy: -870.022
where: short stacking energy: -379.510
Base-Backbone interact. energy: -0.252
local terms energy: -419.568612
where:
bonds (distance) C4'-P energy: -81.139
bonds (distance) P-C4' energy: -99.119
flat angles C4'-P-C4' energy: -106.673
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -78.128
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: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1019.188256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.188256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.188256 (E_RNA)
where:
Base-Base interactions energy: -666.753
where: short stacking energy: -303.546
Base-Backbone interact. energy: 2.663
local terms energy: -355.098039
where:
bonds (distance) C4'-P energy: -94.781
bonds (distance) P-C4' energy: -81.382
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -49.536
tors. eta vs tors. theta energy: -58.221
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -815.771310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.771310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.771310 (E_RNA)
where:
Base-Base interactions energy: -503.022
where: short stacking energy: -220.770
Base-Backbone interact. energy: 1.079
local terms energy: -313.827648
where:
bonds (distance) C4'-P energy: -96.967
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -24.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1969.855320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.855320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.855320 (E_RNA)
where:
Base-Base interactions energy: -1388.778
where: short stacking energy: -579.528
Base-Backbone interact. energy: -3.652
local terms energy: -577.424695
where:
bonds (distance) C4'-P energy: -100.981
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -121.075
flat angles P-C4'-P energy: -87.577
tors. eta vs tors. theta energy: -159.267
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: 259
Temperature: 0.950000
Total energy: -1882.166282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.166282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.166282 (E_RNA)
where:
Base-Base interactions energy: -1328.748
where: short stacking energy: -549.463
Base-Backbone interact. energy: -4.941
local terms energy: -548.476803
where:
bonds (distance) C4'-P energy: -95.791
bonds (distance) P-C4' energy: -101.499
flat angles C4'-P-C4' energy: -122.489
flat angles P-C4'-P energy: -86.731
tors. eta vs tors. theta energy: -141.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1770.524706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.524706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.524706 (E_RNA)
where:
Base-Base interactions energy: -1243.728
where: short stacking energy: -530.418
Base-Backbone interact. energy: 0.588
local terms energy: -527.384118
where:
bonds (distance) C4'-P energy: -88.586
bonds (distance) P-C4' energy: -105.732
flat angles C4'-P-C4' energy: -120.471
flat angles P-C4'-P energy: -67.009
tors. eta vs tors. theta energy: -145.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1691.623226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.623226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.623226 (E_RNA)
where:
Base-Base interactions energy: -1188.998
where: short stacking energy: -498.027
Base-Backbone interact. energy: -3.052
local terms energy: -499.573577
where:
bonds (distance) C4'-P energy: -88.786
bonds (distance) P-C4' energy: -100.917
flat angles C4'-P-C4' energy: -115.857
flat angles P-C4'-P energy: -64.962
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: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1585.351384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.351384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.351384 (E_RNA)
where:
Base-Base interactions energy: -1090.913
where: short stacking energy: -432.073
Base-Backbone interact. energy: -2.070
local terms energy: -492.368135
where:
bonds (distance) C4'-P energy: -97.657
bonds (distance) P-C4' energy: -115.108
flat angles C4'-P-C4' energy: -101.672
flat angles P-C4'-P energy: -72.931
tors. eta vs tors. theta energy: -105.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1602.157058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.157058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.157058 (E_RNA)
where:
Base-Base interactions energy: -1145.853
where: short stacking energy: -459.983
Base-Backbone interact. energy: -2.452
local terms energy: -453.852245
where:
bonds (distance) C4'-P energy: -76.218
bonds (distance) P-C4' energy: -82.574
flat angles C4'-P-C4' energy: -101.468
flat angles P-C4'-P energy: -76.375
tors. eta vs tors. theta energy: -117.216
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: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1403.544269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.544269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.544269 (E_RNA)
where:
Base-Base interactions energy: -987.861
where: short stacking energy: -393.532
Base-Backbone interact. energy: -0.791
local terms energy: -414.892087
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -80.115
flat angles C4'-P-C4' energy: -96.782
flat angles P-C4'-P energy: -65.098
tors. eta vs tors. theta energy: -94.145
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: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1303.464685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.464685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.464685 (E_RNA)
where:
Base-Base interactions energy: -876.900
where: short stacking energy: -385.518
Base-Backbone interact. energy: -0.513
local terms energy: -426.052533
where:
bonds (distance) C4'-P energy: -87.233
bonds (distance) P-C4' energy: -95.740
flat angles C4'-P-C4' energy: -96.298
flat angles P-C4'-P energy: -57.139
tors. eta vs tors. theta energy: -89.642
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: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -973.537553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.537553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.537553 (E_RNA)
where:
Base-Base interactions energy: -619.508
where: short stacking energy: -290.337
Base-Backbone interact. energy: 1.625
local terms energy: -355.654637
where:
bonds (distance) C4'-P energy: -81.471
bonds (distance) P-C4' energy: -82.276
flat angles C4'-P-C4' energy: -83.450
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -51.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -832.584010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.584010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.584010 (E_RNA)
where:
Base-Base interactions energy: -529.128
where: short stacking energy: -231.078
Base-Backbone interact. energy: -0.062
local terms energy: -303.393579
where:
bonds (distance) C4'-P energy: -70.986
bonds (distance) P-C4' energy: -91.137
flat angles C4'-P-C4' energy: -82.940
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1964.021181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.021181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.021181 (E_RNA)
where:
Base-Base interactions energy: -1374.581
where: short stacking energy: -574.927
Base-Backbone interact. energy: -1.755
local terms energy: -587.684255
where:
bonds (distance) C4'-P energy: -93.420
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -126.840
flat angles P-C4'-P energy: -89.276
tors. eta vs tors. theta energy: -170.031
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: 260
Temperature: 0.950000
Total energy: -1873.695268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.695268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.695268 (E_RNA)
where:
Base-Base interactions energy: -1347.705
where: short stacking energy: -569.910
Base-Backbone interact. energy: -1.454
local terms energy: -524.536815
where:
bonds (distance) C4'-P energy: -100.129
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -115.781
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: -151.208
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1783.226280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.226280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.226280 (E_RNA)
where:
Base-Base interactions energy: -1250.677
where: short stacking energy: -508.796
Base-Backbone interact. energy: -3.770
local terms energy: -528.779224
where:
bonds (distance) C4'-P energy: -90.924
bonds (distance) P-C4' energy: -112.903
flat angles C4'-P-C4' energy: -107.757
flat angles P-C4'-P energy: -82.393
tors. eta vs tors. theta energy: -134.802
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: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1718.230989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.230989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.230989 (E_RNA)
where:
Base-Base interactions energy: -1205.608
where: short stacking energy: -515.432
Base-Backbone interact. energy: -1.678
local terms energy: -510.945333
where:
bonds (distance) C4'-P energy: -108.994
bonds (distance) P-C4' energy: -81.182
flat angles C4'-P-C4' energy: -122.658
flat angles P-C4'-P energy: -74.692
tors. eta vs tors. theta energy: -123.419
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1634.949854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.949854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.949854 (E_RNA)
where:
Base-Base interactions energy: -1141.406
where: short stacking energy: -466.069
Base-Backbone interact. energy: -3.610
local terms energy: -489.933368
where:
bonds (distance) C4'-P energy: -89.211
bonds (distance) P-C4' energy: -107.797
flat angles C4'-P-C4' energy: -105.976
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -113.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1568.648139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.648139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.648139 (E_RNA)
where:
Base-Base interactions energy: -1107.444
where: short stacking energy: -470.417
Base-Backbone interact. energy: -0.610
local terms energy: -460.594337
where:
bonds (distance) C4'-P energy: -89.439
bonds (distance) P-C4' energy: -80.462
flat angles C4'-P-C4' energy: -113.771
flat angles P-C4'-P energy: -60.259
tors. eta vs tors. theta energy: -116.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1394.044169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.044169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.044169 (E_RNA)
where:
Base-Base interactions energy: -952.098
where: short stacking energy: -400.214
Base-Backbone interact. energy: -2.599
local terms energy: -439.346917
where:
bonds (distance) C4'-P energy: -94.033
bonds (distance) P-C4' energy: -86.953
flat angles C4'-P-C4' energy: -102.351
flat angles P-C4'-P energy: -58.179
tors. eta vs tors. theta energy: -97.832
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: 260
Temperature: 1.250000
Total energy: -1261.102726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.102726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.102726 (E_RNA)
where:
Base-Base interactions energy: -828.287
where: short stacking energy: -332.860
Base-Backbone interact. energy: -2.057
local terms energy: -430.758425
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -98.556
flat angles C4'-P-C4' energy: -95.790
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -75.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -932.443253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.443253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.443253 (E_RNA)
where:
Base-Base interactions energy: -587.984
where: short stacking energy: -260.422
Base-Backbone interact. energy: 0.860
local terms energy: -345.319313
where:
bonds (distance) C4'-P energy: -88.217
bonds (distance) P-C4' energy: -73.660
flat angles C4'-P-C4' energy: -86.333
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -942.574422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.574422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.574422 (E_RNA)
where:
Base-Base interactions energy: -596.845
where: short stacking energy: -259.959
Base-Backbone interact. energy: 4.610
local terms energy: -350.339863
where:
bonds (distance) C4'-P energy: -92.168
bonds (distance) P-C4' energy: -93.821
flat angles C4'-P-C4' energy: -78.913
flat angles P-C4'-P energy: -54.183
tors. eta vs tors. theta energy: -31.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1950.870908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.870908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.870908 (E_RNA)
where:
Base-Base interactions energy: -1384.939
where: short stacking energy: -546.419
Base-Backbone interact. energy: -3.083
local terms energy: -562.849065
where:
bonds (distance) C4'-P energy: -96.681
bonds (distance) P-C4' energy: -106.904
flat angles C4'-P-C4' energy: -123.108
flat angles P-C4'-P energy: -82.636
tors. eta vs tors. theta energy: -153.521
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: 261
Temperature: 0.950000
Total energy: -1865.877905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.877905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.877905 (E_RNA)
where:
Base-Base interactions energy: -1322.139
where: short stacking energy: -559.950
Base-Backbone interact. energy: -2.045
local terms energy: -541.694334
where:
bonds (distance) C4'-P energy: -94.029
bonds (distance) P-C4' energy: -115.983
flat angles C4'-P-C4' energy: -112.092
flat angles P-C4'-P energy: -68.793
tors. eta vs tors. theta energy: -150.798
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1796.667093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.667093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.667093 (E_RNA)
where:
Base-Base interactions energy: -1225.680
where: short stacking energy: -523.667
Base-Backbone interact. energy: -3.321
local terms energy: -567.665599
where:
bonds (distance) C4'-P energy: -104.952
bonds (distance) P-C4' energy: -107.094
flat angles C4'-P-C4' energy: -115.658
flat angles P-C4'-P energy: -82.112
tors. eta vs tors. theta energy: -157.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1704.948025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.948025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.948025 (E_RNA)
where:
Base-Base interactions energy: -1181.595
where: short stacking energy: -490.112
Base-Backbone interact. energy: -2.477
local terms energy: -520.876834
where:
bonds (distance) C4'-P energy: -95.366
bonds (distance) P-C4' energy: -101.707
flat angles C4'-P-C4' energy: -118.674
flat angles P-C4'-P energy: -81.224
tors. eta vs tors. theta energy: -123.905
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: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1636.002995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.002995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.002995 (E_RNA)
where:
Base-Base interactions energy: -1153.603
where: short stacking energy: -460.142
Base-Backbone interact. energy: 0.136
local terms energy: -482.535791
where:
bonds (distance) C4'-P energy: -88.168
bonds (distance) P-C4' energy: -87.098
flat angles C4'-P-C4' energy: -104.459
flat angles P-C4'-P energy: -72.989
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1577.154267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.154267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.154267 (E_RNA)
where:
Base-Base interactions energy: -1124.103
where: short stacking energy: -446.089
Base-Backbone interact. energy: -3.795
local terms energy: -449.256300
where:
bonds (distance) C4'-P energy: -85.046
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -102.723
flat angles P-C4'-P energy: -64.155
tors. eta vs tors. theta energy: -107.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1392.729537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.729537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.729537 (E_RNA)
where:
Base-Base interactions energy: -965.355
where: short stacking energy: -402.948
Base-Backbone interact. energy: 0.575
local terms energy: -427.949064
where:
bonds (distance) C4'-P energy: -70.538
bonds (distance) P-C4' energy: -95.477
flat angles C4'-P-C4' energy: -96.311
flat angles P-C4'-P energy: -70.706
tors. eta vs tors. theta energy: -94.917
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: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1253.537631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.537631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.537631 (E_RNA)
where:
Base-Base interactions energy: -818.742
where: short stacking energy: -334.915
Base-Backbone interact. energy: -1.588
local terms energy: -433.207161
where:
bonds (distance) C4'-P energy: -84.843
bonds (distance) P-C4' energy: -114.351
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -60.764
tors. eta vs tors. theta energy: -82.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1009.057691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.057691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.057691 (E_RNA)
where:
Base-Base interactions energy: -657.636
where: short stacking energy: -295.860
Base-Backbone interact. energy: -3.514
local terms energy: -347.907381
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -95.492
flat angles C4'-P-C4' energy: -82.506
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -957.271924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.271924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.271924 (E_RNA)
where:
Base-Base interactions energy: -617.873
where: short stacking energy: -273.639
Base-Backbone interact. energy: -0.695
local terms energy: -338.703429
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -75.851
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -67.523
tors. eta vs tors. theta energy: -36.445
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: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1923.181635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.181635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.181635 (E_RNA)
where:
Base-Base interactions energy: -1363.287
where: short stacking energy: -558.988
Base-Backbone interact. energy: -1.339
local terms energy: -558.555588
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -101.339
flat angles C4'-P-C4' energy: -122.360
flat angles P-C4'-P energy: -76.746
tors. eta vs tors. theta energy: -152.027
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: 262
Temperature: 0.950000
Total energy: -1847.175711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.175711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.175711 (E_RNA)
where:
Base-Base interactions energy: -1300.575
where: short stacking energy: -542.257
Base-Backbone interact. energy: -2.580
local terms energy: -544.020013
where:
bonds (distance) C4'-P energy: -102.277
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -117.840
flat angles P-C4'-P energy: -85.628
tors. eta vs tors. theta energy: -143.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1792.287090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.287090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.287090 (E_RNA)
where:
Base-Base interactions energy: -1250.348
where: short stacking energy: -537.427
Base-Backbone interact. energy: -2.484
local terms energy: -539.454902
where:
bonds (distance) C4'-P energy: -92.575
bonds (distance) P-C4' energy: -103.454
flat angles C4'-P-C4' energy: -126.505
flat angles P-C4'-P energy: -74.617
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: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1706.506617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.506617 (E_RNA)
where:
Base-Base interactions energy: -1226.494
where: short stacking energy: -491.123
Base-Backbone interact. energy: 1.016
local terms energy: -481.028781
where:
bonds (distance) C4'-P energy: -106.661
bonds (distance) P-C4' energy: -88.220
flat angles C4'-P-C4' energy: -99.912
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -113.219
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: 262
Temperature: 1.100000
Total energy: -1707.207846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.207846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.207846 (E_RNA)
where:
Base-Base interactions energy: -1183.599
where: short stacking energy: -488.583
Base-Backbone interact. energy: 7.119
local terms energy: -530.727762
where:
bonds (distance) C4'-P energy: -97.444
bonds (distance) P-C4' energy: -108.589
flat angles C4'-P-C4' energy: -111.149
flat angles P-C4'-P energy: -73.184
tors. eta vs tors. theta energy: -140.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1549.716074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.716074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.716074 (E_RNA)
where:
Base-Base interactions energy: -1079.119
where: short stacking energy: -447.163
Base-Backbone interact. energy: 1.767
local terms energy: -472.364457
where:
bonds (distance) C4'-P energy: -90.604
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: -114.115
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: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1455.053135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.053135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.053135 (E_RNA)
where:
Base-Base interactions energy: -1003.490
where: short stacking energy: -425.912
Base-Backbone interact. energy: -1.787
local terms energy: -449.776288
where:
bonds (distance) C4'-P energy: -98.271
bonds (distance) P-C4' energy: -94.862
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -106.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1227.074796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.074796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.074796 (E_RNA)
where:
Base-Base interactions energy: -851.689
where: short stacking energy: -352.023
Base-Backbone interact. energy: -2.738
local terms energy: -372.648074
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -91.433
flat angles C4'-P-C4' energy: -86.368
flat angles P-C4'-P energy: -54.007
tors. eta vs tors. theta energy: -65.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1006.119015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.119015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.119015 (E_RNA)
where:
Base-Base interactions energy: -650.523
where: short stacking energy: -266.372
Base-Backbone interact. energy: 1.229
local terms energy: -356.825004
where:
bonds (distance) C4'-P energy: -91.894
bonds (distance) P-C4' energy: -96.016
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -44.538
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -914.212495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.212495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.212495 (E_RNA)
where:
Base-Base interactions energy: -555.478
where: short stacking energy: -256.327
Base-Backbone interact. energy: 0.788
local terms energy: -359.522023
where:
bonds (distance) C4'-P energy: -82.904
bonds (distance) P-C4' energy: -95.616
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -36.983
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: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1933.385626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.385626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.385626 (E_RNA)
where:
Base-Base interactions energy: -1368.435
where: short stacking energy: -566.042
Base-Backbone interact. energy: -2.856
local terms energy: -562.094129
where:
bonds (distance) C4'-P energy: -112.053
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -111.463
flat angles P-C4'-P energy: -84.440
tors. eta vs tors. theta energy: -148.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1877.442297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.442297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.442297 (E_RNA)
where:
Base-Base interactions energy: -1316.031
where: short stacking energy: -551.697
Base-Backbone interact. energy: -2.740
local terms energy: -558.671444
where:
bonds (distance) C4'-P energy: -109.318
bonds (distance) P-C4' energy: -103.000
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -85.955
tors. eta vs tors. theta energy: -148.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1776.959454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.959454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.959454 (E_RNA)
where:
Base-Base interactions energy: -1229.179
where: short stacking energy: -519.686
Base-Backbone interact. energy: -2.387
local terms energy: -545.393269
where:
bonds (distance) C4'-P energy: -99.743
bonds (distance) P-C4' energy: -109.151
flat angles C4'-P-C4' energy: -122.485
flat angles P-C4'-P energy: -70.423
tors. eta vs tors. theta energy: -143.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1696.353610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.353610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.353610 (E_RNA)
where:
Base-Base interactions energy: -1198.939
where: short stacking energy: -477.940
Base-Backbone interact. energy: -5.334
local terms energy: -492.080600
where:
bonds (distance) C4'-P energy: -71.597
bonds (distance) P-C4' energy: -109.289
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -71.242
tors. eta vs tors. theta energy: -128.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1702.493042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.493042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.493042 (E_RNA)
where:
Base-Base interactions energy: -1182.155
where: short stacking energy: -484.304
Base-Backbone interact. energy: -2.995
local terms energy: -517.343724
where:
bonds (distance) C4'-P energy: -95.501
bonds (distance) P-C4' energy: -108.698
flat angles C4'-P-C4' energy: -109.061
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -128.828
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: 263
Temperature: 1.150000
Total energy: -1562.568736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.568736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.568736 (E_RNA)
where:
Base-Base interactions energy: -1119.116
where: short stacking energy: -453.752
Base-Backbone interact. energy: 1.345
local terms energy: -444.797603
where:
bonds (distance) C4'-P energy: -84.808
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -99.690
flat angles P-C4'-P energy: -60.372
tors. eta vs tors. theta energy: -111.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1418.637469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.637469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.637469 (E_RNA)
where:
Base-Base interactions energy: -982.941
where: short stacking energy: -412.972
Base-Backbone interact. energy: -3.795
local terms energy: -431.901358
where:
bonds (distance) C4'-P energy: -80.522
bonds (distance) P-C4' energy: -102.471
flat angles C4'-P-C4' energy: -88.266
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -98.832
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: 263
Temperature: 1.250000
Total energy: -1275.466449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.466449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.466449 (E_RNA)
where:
Base-Base interactions energy: -861.402
where: short stacking energy: -390.859
Base-Backbone interact. energy: -0.383
local terms energy: -413.681753
where:
bonds (distance) C4'-P energy: -91.661
bonds (distance) P-C4' energy: -85.040
flat angles C4'-P-C4' energy: -93.647
flat angles P-C4'-P energy: -55.279
tors. eta vs tors. theta energy: -88.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1066.241580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.241580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.241580 (E_RNA)
where:
Base-Base interactions energy: -695.967
where: short stacking energy: -317.309
Base-Backbone interact. energy: -1.439
local terms energy: -368.835855
where:
bonds (distance) C4'-P energy: -93.654
bonds (distance) P-C4' energy: -92.266
flat angles C4'-P-C4' energy: -84.056
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: -59.904
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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -952.353255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.353255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.353255 (E_RNA)
where:
Base-Base interactions energy: -593.132
where: short stacking energy: -274.782
Base-Backbone interact. energy: 2.059
local terms energy: -361.280549
where:
bonds (distance) C4'-P energy: -69.252
bonds (distance) P-C4' energy: -81.368
flat angles C4'-P-C4' energy: -93.807
flat angles P-C4'-P energy: -67.602
tors. eta vs tors. theta energy: -49.251
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: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1915.731005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.731005 (E_RNA)
where:
Base-Base interactions energy: -1382.958
where: short stacking energy: -563.125
Base-Backbone interact. energy: -4.694
local terms energy: -528.079399
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -100.008
flat angles C4'-P-C4' energy: -118.124
flat angles P-C4'-P energy: -67.781
tors. eta vs tors. theta energy: -156.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1846.481622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.481622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.481622 (E_RNA)
where:
Base-Base interactions energy: -1299.694
where: short stacking energy: -536.961
Base-Backbone interact. energy: -2.931
local terms energy: -543.856934
where:
bonds (distance) C4'-P energy: -91.005
bonds (distance) P-C4' energy: -105.553
flat angles C4'-P-C4' energy: -120.073
flat angles P-C4'-P energy: -80.786
tors. eta vs tors. theta energy: -146.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1769.923813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.923813 (E_RNA)
where:
Base-Base interactions energy: -1254.941
where: short stacking energy: -516.324
Base-Backbone interact. energy: -3.706
local terms energy: -511.276316
where:
bonds (distance) C4'-P energy: -88.204
bonds (distance) P-C4' energy: -104.416
flat angles C4'-P-C4' energy: -122.647
flat angles P-C4'-P energy: -62.457
tors. eta vs tors. theta energy: -133.552
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1673.432625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.432625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.432625 (E_RNA)
where:
Base-Base interactions energy: -1174.523
where: short stacking energy: -491.201
Base-Backbone interact. energy: 1.436
local terms energy: -500.345712
where:
bonds (distance) C4'-P energy: -86.770
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -119.759
flat angles P-C4'-P energy: -75.291
tors. eta vs tors. theta energy: -127.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1686.147249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.147249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.147249 (E_RNA)
where:
Base-Base interactions energy: -1179.785
where: short stacking energy: -500.202
Base-Backbone interact. energy: -2.232
local terms energy: -504.129733
where:
bonds (distance) C4'-P energy: -88.595
bonds (distance) P-C4' energy: -100.902
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -69.279
tors. eta vs tors. theta energy: -128.458
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: 264
Temperature: 1.150000
Total energy: -1556.033076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.033076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.033076 (E_RNA)
where:
Base-Base interactions energy: -1080.881
where: short stacking energy: -435.574
Base-Backbone interact. energy: -1.041
local terms energy: -474.111697
where:
bonds (distance) C4'-P energy: -83.715
bonds (distance) P-C4' energy: -99.052
flat angles C4'-P-C4' energy: -112.950
flat angles P-C4'-P energy: -71.482
tors. eta vs tors. theta energy: -106.913
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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1417.321035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.321035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.321035 (E_RNA)
where:
Base-Base interactions energy: -966.620
where: short stacking energy: -392.948
Base-Backbone interact. energy: -1.911
local terms energy: -448.790635
where:
bonds (distance) C4'-P energy: -79.805
bonds (distance) P-C4' energy: -105.883
flat angles C4'-P-C4' energy: -110.109
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -90.737
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1293.405729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.405729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.405729 (E_RNA)
where:
Base-Base interactions energy: -879.820
where: short stacking energy: -365.474
Base-Backbone interact. energy: -0.617
local terms energy: -412.968299
where:
bonds (distance) C4'-P energy: -95.749
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -84.464
flat angles P-C4'-P energy: -55.851
tors. eta vs tors. theta energy: -76.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1093.946593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.946593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.946593 (E_RNA)
where:
Base-Base interactions energy: -715.999
where: short stacking energy: -319.371
Base-Backbone interact. energy: -1.405
local terms energy: -376.541867
where:
bonds (distance) C4'-P energy: -71.119
bonds (distance) P-C4' energy: -86.345
flat angles C4'-P-C4' energy: -86.340
flat angles P-C4'-P energy: -58.787
tors. eta vs tors. theta energy: -73.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -956.281617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.281617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.281617 (E_RNA)
where:
Base-Base interactions energy: -644.556
where: short stacking energy: -275.560
Base-Backbone interact. energy: 2.348
local terms energy: -314.073283
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -72.209
flat angles C4'-P-C4' energy: -76.285
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -46.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1931.183587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.183587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.183587 (E_RNA)
where:
Base-Base interactions energy: -1368.271
where: short stacking energy: -564.831
Base-Backbone interact. energy: -4.556
local terms energy: -558.356518
where:
bonds (distance) C4'-P energy: -92.877
bonds (distance) P-C4' energy: -112.820
flat angles C4'-P-C4' energy: -117.872
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: -154.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1833.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.386420 (E_RNA)
where:
Base-Base interactions energy: -1283.835
where: short stacking energy: -518.002
Base-Backbone interact. energy: -5.661
local terms energy: -543.890195
where:
bonds (distance) C4'-P energy: -106.090
bonds (distance) P-C4' energy: -92.076
flat angles C4'-P-C4' energy: -116.471
flat angles P-C4'-P energy: -78.625
tors. eta vs tors. theta energy: -150.629
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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1810.695751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.695751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.695751 (E_RNA)
where:
Base-Base interactions energy: -1274.188
where: short stacking energy: -542.604
Base-Backbone interact. energy: -4.416
local terms energy: -532.091218
where:
bonds (distance) C4'-P energy: -100.659
bonds (distance) P-C4' energy: -103.126
flat angles C4'-P-C4' energy: -117.538
flat angles P-C4'-P energy: -71.389
tors. eta vs tors. theta energy: -139.379
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: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1697.048436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.048436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.048436 (E_RNA)
where:
Base-Base interactions energy: -1207.519
where: short stacking energy: -487.904
Base-Backbone interact. energy: -0.049
local terms energy: -489.480448
where:
bonds (distance) C4'-P energy: -84.679
bonds (distance) P-C4' energy: -96.362
flat angles C4'-P-C4' energy: -117.705
flat angles P-C4'-P energy: -63.560
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: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1670.765963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.765963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.765963 (E_RNA)
where:
Base-Base interactions energy: -1166.840
where: short stacking energy: -475.879
Base-Backbone interact. energy: -0.653
local terms energy: -503.272858
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -112.232
flat angles P-C4'-P energy: -72.132
tors. eta vs tors. theta energy: -120.574
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: 265
Temperature: 1.150000
Total energy: -1549.373442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.373442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.373442 (E_RNA)
where:
Base-Base interactions energy: -1088.612
where: short stacking energy: -452.914
Base-Backbone interact. energy: -1.012
local terms energy: -459.750127
where:
bonds (distance) C4'-P energy: -94.254
bonds (distance) P-C4' energy: -102.359
flat angles C4'-P-C4' energy: -92.129
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -108.086
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: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1431.450449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.450449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.450449 (E_RNA)
where:
Base-Base interactions energy: -1002.482
where: short stacking energy: -417.269
Base-Backbone interact. energy: -1.637
local terms energy: -427.331128
where:
bonds (distance) C4'-P energy: -81.952
bonds (distance) P-C4' energy: -93.789
flat angles C4'-P-C4' energy: -96.391
flat angles P-C4'-P energy: -64.370
tors. eta vs tors. theta energy: -90.830
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1183.791840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.791840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.791840 (E_RNA)
where:
Base-Base interactions energy: -807.939
where: short stacking energy: -350.162
Base-Backbone interact. energy: -1.673
local terms energy: -374.180355
where:
bonds (distance) C4'-P energy: -69.481
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -102.832
flat angles P-C4'-P energy: -45.549
tors. eta vs tors. theta energy: -67.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1056.037554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.037554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.037554 (E_RNA)
where:
Base-Base interactions energy: -674.203
where: short stacking energy: -294.565
Base-Backbone interact. energy: -2.702
local terms energy: -379.133050
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -56.857
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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1089.041000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.041000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.041000 (E_RNA)
where:
Base-Base interactions energy: -744.375
where: short stacking energy: -316.907
Base-Backbone interact. energy: 2.300
local terms energy: -346.965774
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -90.294
flat angles C4'-P-C4' energy: -79.683
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -64.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1932.217452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.217452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.217452 (E_RNA)
where:
Base-Base interactions energy: -1359.157
where: short stacking energy: -552.980
Base-Backbone interact. energy: -5.708
local terms energy: -567.352123
where:
bonds (distance) C4'-P energy: -106.629
bonds (distance) P-C4' energy: -112.125
flat angles C4'-P-C4' energy: -121.592
flat angles P-C4'-P energy: -78.569
tors. eta vs tors. theta energy: -148.437
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: 266
Temperature: 0.950000
Total energy: -1819.336858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.336858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.336858 (E_RNA)
where:
Base-Base interactions energy: -1277.876
where: short stacking energy: -525.817
Base-Backbone interact. energy: -2.196
local terms energy: -539.264731
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -108.931
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -85.791
tors. eta vs tors. theta energy: -141.353
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1753.201944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.201944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.201944 (E_RNA)
where:
Base-Base interactions energy: -1243.317
where: short stacking energy: -506.817
Base-Backbone interact. energy: -1.262
local terms energy: -508.622511
where:
bonds (distance) C4'-P energy: -99.377
bonds (distance) P-C4' energy: -91.521
flat angles C4'-P-C4' energy: -107.890
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -135.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1691.955551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.955551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.955551 (E_RNA)
where:
Base-Base interactions energy: -1148.453
where: short stacking energy: -469.679
Base-Backbone interact. energy: -3.507
local terms energy: -539.995156
where:
bonds (distance) C4'-P energy: -97.397
bonds (distance) P-C4' energy: -104.083
flat angles C4'-P-C4' energy: -117.365
flat angles P-C4'-P energy: -88.116
tors. eta vs tors. theta energy: -133.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1669.849180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.849180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.849180 (E_RNA)
where:
Base-Base interactions energy: -1180.503
where: short stacking energy: -485.278
Base-Backbone interact. energy: -2.906
local terms energy: -486.440844
where:
bonds (distance) C4'-P energy: -77.807
bonds (distance) P-C4' energy: -93.049
flat angles C4'-P-C4' energy: -117.837
flat angles P-C4'-P energy: -77.809
tors. eta vs tors. theta energy: -119.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1550.715612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.715612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.715612 (E_RNA)
where:
Base-Base interactions energy: -1113.623
where: short stacking energy: -443.042
Base-Backbone interact. energy: 1.237
local terms energy: -438.329330
where:
bonds (distance) C4'-P energy: -85.524
bonds (distance) P-C4' energy: -88.192
flat angles C4'-P-C4' energy: -102.496
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -105.869
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: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1399.892054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.892054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.892054 (E_RNA)
where:
Base-Base interactions energy: -950.755
where: short stacking energy: -413.084
Base-Backbone interact. energy: 0.815
local terms energy: -449.952472
where:
bonds (distance) C4'-P energy: -95.211
bonds (distance) P-C4' energy: -100.008
flat angles C4'-P-C4' energy: -103.843
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -102.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1227.352123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.352123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.352123 (E_RNA)
where:
Base-Base interactions energy: -843.515
where: short stacking energy: -345.179
Base-Backbone interact. energy: 0.175
local terms energy: -384.012200
where:
bonds (distance) C4'-P energy: -71.392
bonds (distance) P-C4' energy: -89.675
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -75.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1109.710736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.710736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.710736 (E_RNA)
where:
Base-Base interactions energy: -749.838
where: short stacking energy: -329.074
Base-Backbone interact. energy: 1.015
local terms energy: -360.887393
where:
bonds (distance) C4'-P energy: -80.038
bonds (distance) P-C4' energy: -66.035
flat angles C4'-P-C4' energy: -102.134
flat angles P-C4'-P energy: -51.131
tors. eta vs tors. theta energy: -61.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1019.223263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.223263 (E_RNA)
where:
Base-Base interactions energy: -678.745
where: short stacking energy: -294.299
Base-Backbone interact. energy: 4.494
local terms energy: -344.971893
where:
bonds (distance) C4'-P energy: -76.827
bonds (distance) P-C4' energy: -79.493
flat angles C4'-P-C4' energy: -90.084
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -46.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1954.429177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.429177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.429177 (E_RNA)
where:
Base-Base interactions energy: -1382.779
where: short stacking energy: -568.700
Base-Backbone interact. energy: -4.247
local terms energy: -567.402443
where:
bonds (distance) C4'-P energy: -98.191
bonds (distance) P-C4' energy: -99.011
flat angles C4'-P-C4' energy: -123.924
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -159.446
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: 267
Temperature: 0.950000
Total energy: -1864.903677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.903677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.903677 (E_RNA)
where:
Base-Base interactions energy: -1306.036
where: short stacking energy: -555.728
Base-Backbone interact. energy: 0.097
local terms energy: -558.964798
where:
bonds (distance) C4'-P energy: -107.118
bonds (distance) P-C4' energy: -107.392
flat angles C4'-P-C4' energy: -118.256
flat angles P-C4'-P energy: -92.380
tors. eta vs tors. theta energy: -133.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1769.335321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.335321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.335321 (E_RNA)
where:
Base-Base interactions energy: -1217.580
where: short stacking energy: -505.072
Base-Backbone interact. energy: -1.528
local terms energy: -550.227288
where:
bonds (distance) C4'-P energy: -98.589
bonds (distance) P-C4' energy: -100.132
flat angles C4'-P-C4' energy: -126.001
flat angles P-C4'-P energy: -84.977
tors. eta vs tors. theta energy: -140.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1703.850846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.850846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.850846 (E_RNA)
where:
Base-Base interactions energy: -1190.598
where: short stacking energy: -490.881
Base-Backbone interact. energy: 4.065
local terms energy: -517.317871
where:
bonds (distance) C4'-P energy: -95.739
bonds (distance) P-C4' energy: -95.009
flat angles C4'-P-C4' energy: -121.811
flat angles P-C4'-P energy: -73.478
tors. eta vs tors. theta energy: -131.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1683.809455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.809455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.809455 (E_RNA)
where:
Base-Base interactions energy: -1183.337
where: short stacking energy: -462.506
Base-Backbone interact. energy: -4.063
local terms energy: -496.409111
where:
bonds (distance) C4'-P energy: -99.892
bonds (distance) P-C4' energy: -91.564
flat angles C4'-P-C4' energy: -114.094
flat angles P-C4'-P energy: -81.877
tors. eta vs tors. theta energy: -108.983
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: 267
Temperature: 1.150000
Total energy: -1532.336337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.336337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.336337 (E_RNA)
where:
Base-Base interactions energy: -1058.802
where: short stacking energy: -433.093
Base-Backbone interact. energy: 0.548
local terms energy: -474.082932
where:
bonds (distance) C4'-P energy: -90.980
bonds (distance) P-C4' energy: -97.887
flat angles C4'-P-C4' energy: -109.896
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -113.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1425.536990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.536990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.536990 (E_RNA)
where:
Base-Base interactions energy: -959.312
where: short stacking energy: -412.765
Base-Backbone interact. energy: -0.171
local terms energy: -466.053198
where:
bonds (distance) C4'-P energy: -92.485
bonds (distance) P-C4' energy: -96.768
flat angles C4'-P-C4' energy: -106.277
flat angles P-C4'-P energy: -64.112
tors. eta vs tors. theta energy: -106.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1158.699421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.699421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.699421 (E_RNA)
where:
Base-Base interactions energy: -776.964
where: short stacking energy: -338.174
Base-Backbone interact. energy: -0.960
local terms energy: -380.775353
where:
bonds (distance) C4'-P energy: -86.373
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -94.664
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -54.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1176.416618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.416618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.416618 (E_RNA)
where:
Base-Base interactions energy: -773.875
where: short stacking energy: -327.253
Base-Backbone interact. energy: -0.041
local terms energy: -402.500844
where:
bonds (distance) C4'-P energy: -95.599
bonds (distance) P-C4' energy: -96.911
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -65.275
tors. eta vs tors. theta energy: -70.265
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -919.978737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.978737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.978737 (E_RNA)
where:
Base-Base interactions energy: -589.365
where: short stacking energy: -250.173
Base-Backbone interact. energy: 3.307
local terms energy: -333.921083
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -81.130
flat angles P-C4'-P energy: -50.873
tors. eta vs tors. theta energy: -38.535
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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1966.858948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.858948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.858948 (E_RNA)
where:
Base-Base interactions energy: -1374.710
where: short stacking energy: -568.853
Base-Backbone interact. energy: -4.335
local terms energy: -587.814069
where:
bonds (distance) C4'-P energy: -109.918
bonds (distance) P-C4' energy: -119.982
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -154.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1841.028453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.028453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.028453 (E_RNA)
where:
Base-Base interactions energy: -1289.382
where: short stacking energy: -517.448
Base-Backbone interact. energy: -3.226
local terms energy: -548.420440
where:
bonds (distance) C4'-P energy: -104.507
bonds (distance) P-C4' energy: -98.047
flat angles C4'-P-C4' energy: -123.511
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -141.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1771.097277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.097277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.097277 (E_RNA)
where:
Base-Base interactions energy: -1263.401
where: short stacking energy: -531.160
Base-Backbone interact. energy: 1.847
local terms energy: -509.542799
where:
bonds (distance) C4'-P energy: -84.173
bonds (distance) P-C4' energy: -108.380
flat angles C4'-P-C4' energy: -115.593
flat angles P-C4'-P energy: -64.113
tors. eta vs tors. theta energy: -137.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1696.778716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.778716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.778716 (E_RNA)
where:
Base-Base interactions energy: -1194.778
where: short stacking energy: -508.096
Base-Backbone interact. energy: 0.707
local terms energy: -502.707839
where:
bonds (distance) C4'-P energy: -92.207
bonds (distance) P-C4' energy: -88.726
flat angles C4'-P-C4' energy: -110.351
flat angles P-C4'-P energy: -75.440
tors. eta vs tors. theta energy: -135.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1633.832399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.832399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.832399 (E_RNA)
where:
Base-Base interactions energy: -1141.864
where: short stacking energy: -461.259
Base-Backbone interact. energy: -3.529
local terms energy: -488.439315
where:
bonds (distance) C4'-P energy: -97.241
bonds (distance) P-C4' energy: -97.752
flat angles C4'-P-C4' energy: -110.053
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -109.308
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: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1556.813297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.813297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.813297 (E_RNA)
where:
Base-Base interactions energy: -1105.804
where: short stacking energy: -459.856
Base-Backbone interact. energy: -2.582
local terms energy: -448.426777
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -79.991
flat angles C4'-P-C4' energy: -111.220
flat angles P-C4'-P energy: -57.820
tors. eta vs tors. theta energy: -108.345
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1416.616193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.616193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.616193 (E_RNA)
where:
Base-Base interactions energy: -988.610
where: short stacking energy: -414.683
Base-Backbone interact. energy: -3.271
local terms energy: -424.734520
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -93.090
flat angles C4'-P-C4' energy: -101.410
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -91.083
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: 268
Temperature: 1.250000
Total energy: -1194.437669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.437669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.437669 (E_RNA)
where:
Base-Base interactions energy: -802.190
where: short stacking energy: -383.146
Base-Backbone interact. energy: 2.110
local terms energy: -394.356979
where:
bonds (distance) C4'-P energy: -78.503
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -89.194
flat angles P-C4'-P energy: -60.045
tors. eta vs tors. theta energy: -78.633
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: 268
Temperature: 1.300000
Total energy: -1136.961161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.961161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.961161 (E_RNA)
where:
Base-Base interactions energy: -751.328
where: short stacking energy: -322.597
Base-Backbone interact. energy: 0.915
local terms energy: -386.547845
where:
bonds (distance) C4'-P energy: -91.684
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -88.732
flat angles P-C4'-P energy: -67.374
tors. eta vs tors. theta energy: -64.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -968.793554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.793554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.793554 (E_RNA)
where:
Base-Base interactions energy: -646.241
where: short stacking energy: -293.249
Base-Backbone interact. energy: 1.251
local terms energy: -323.803324
where:
bonds (distance) C4'-P energy: -74.801
bonds (distance) P-C4' energy: -77.705
flat angles C4'-P-C4' energy: -70.813
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -45.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1931.626334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.626334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.626334 (E_RNA)
where:
Base-Base interactions energy: -1372.072
where: short stacking energy: -567.814
Base-Backbone interact. energy: -2.414
local terms energy: -557.140618
where:
bonds (distance) C4'-P energy: -107.095
bonds (distance) P-C4' energy: -97.538
flat angles C4'-P-C4' energy: -116.885
flat angles P-C4'-P energy: -91.888
tors. eta vs tors. theta energy: -143.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1856.289474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.289474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.289474 (E_RNA)
where:
Base-Base interactions energy: -1301.659
where: short stacking energy: -537.189
Base-Backbone interact. energy: 1.322
local terms energy: -555.952460
where:
bonds (distance) C4'-P energy: -104.854
bonds (distance) P-C4' energy: -106.382
flat angles C4'-P-C4' energy: -116.918
flat angles P-C4'-P energy: -75.715
tors. eta vs tors. theta energy: -152.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1785.363452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.363452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.363452 (E_RNA)
where:
Base-Base interactions energy: -1251.270
where: short stacking energy: -509.483
Base-Backbone interact. energy: 0.173
local terms energy: -534.266496
where:
bonds (distance) C4'-P energy: -86.582
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -123.622
flat angles P-C4'-P energy: -77.681
tors. eta vs tors. theta energy: -138.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1685.865152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.865152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.865152 (E_RNA)
where:
Base-Base interactions energy: -1175.223
where: short stacking energy: -495.934
Base-Backbone interact. energy: 0.770
local terms energy: -511.412670
where:
bonds (distance) C4'-P energy: -86.251
bonds (distance) P-C4' energy: -101.570
flat angles C4'-P-C4' energy: -102.721
flat angles P-C4'-P energy: -84.004
tors. eta vs tors. theta energy: -136.866
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1668.685902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.685902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.685902 (E_RNA)
where:
Base-Base interactions energy: -1184.274
where: short stacking energy: -497.583
Base-Backbone interact. energy: -0.060
local terms energy: -484.352286
where:
bonds (distance) C4'-P energy: -82.060
bonds (distance) P-C4' energy: -97.196
flat angles C4'-P-C4' energy: -113.950
flat angles P-C4'-P energy: -75.877
tors. eta vs tors. theta energy: -115.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1573.639215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.639215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.639215 (E_RNA)
where:
Base-Base interactions energy: -1093.425
where: short stacking energy: -442.509
Base-Backbone interact. energy: 1.491
local terms energy: -481.705799
where:
bonds (distance) C4'-P energy: -90.486
bonds (distance) P-C4' energy: -93.085
flat angles C4'-P-C4' energy: -116.339
flat angles P-C4'-P energy: -68.531
tors. eta vs tors. theta energy: -113.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1406.099646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.099646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.099646 (E_RNA)
where:
Base-Base interactions energy: -983.380
where: short stacking energy: -417.810
Base-Backbone interact. energy: -0.330
local terms energy: -422.389481
where:
bonds (distance) C4'-P energy: -101.273
bonds (distance) P-C4' energy: -73.235
flat angles C4'-P-C4' energy: -101.450
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -96.860
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1167.039084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.039084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.039084 (E_RNA)
where:
Base-Base interactions energy: -766.400
where: short stacking energy: -334.654
Base-Backbone interact. energy: -2.904
local terms energy: -397.734783
where:
bonds (distance) C4'-P energy: -92.250
bonds (distance) P-C4' energy: -89.271
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -68.650
tors. eta vs tors. theta energy: -66.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1143.023765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.023765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.023765 (E_RNA)
where:
Base-Base interactions energy: -746.063
where: short stacking energy: -322.753
Base-Backbone interact. energy: -0.823
local terms energy: -396.138124
where:
bonds (distance) C4'-P energy: -87.312
bonds (distance) P-C4' energy: -88.270
flat angles C4'-P-C4' energy: -89.269
flat angles P-C4'-P energy: -69.445
tors. eta vs tors. theta energy: -61.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -945.980323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.980323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.980323 (E_RNA)
where:
Base-Base interactions energy: -582.158
where: short stacking energy: -265.400
Base-Backbone interact. energy: -2.479
local terms energy: -361.343387
where:
bonds (distance) C4'-P energy: -84.465
bonds (distance) P-C4' energy: -98.794
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1949.573053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.573053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.573053 (E_RNA)
where:
Base-Base interactions energy: -1361.628
where: short stacking energy: -584.921
Base-Backbone interact. energy: -1.451
local terms energy: -586.494513
where:
bonds (distance) C4'-P energy: -108.237
bonds (distance) P-C4' energy: -107.526
flat angles C4'-P-C4' energy: -133.553
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -154.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1861.009229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.009229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.009229 (E_RNA)
where:
Base-Base interactions energy: -1315.801
where: short stacking energy: -540.620
Base-Backbone interact. energy: -1.752
local terms energy: -543.455871
where:
bonds (distance) C4'-P energy: -84.732
bonds (distance) P-C4' energy: -100.335
flat angles C4'-P-C4' energy: -126.904
flat angles P-C4'-P energy: -87.787
tors. eta vs tors. theta energy: -143.697
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1809.613822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.613822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.613822 (E_RNA)
where:
Base-Base interactions energy: -1261.224
where: short stacking energy: -531.140
Base-Backbone interact. energy: -2.067
local terms energy: -546.323190
where:
bonds (distance) C4'-P energy: -92.340
bonds (distance) P-C4' energy: -105.545
flat angles C4'-P-C4' energy: -122.327
flat angles P-C4'-P energy: -78.425
tors. eta vs tors. theta energy: -147.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1690.903051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.903051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.903051 (E_RNA)
where:
Base-Base interactions energy: -1194.695
where: short stacking energy: -496.740
Base-Backbone interact. energy: -1.263
local terms energy: -494.944830
where:
bonds (distance) C4'-P energy: -96.787
bonds (distance) P-C4' energy: -92.947
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -63.328
tors. eta vs tors. theta energy: -129.622
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1680.046649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.046649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.046649 (E_RNA)
where:
Base-Base interactions energy: -1170.754
where: short stacking energy: -491.612
Base-Backbone interact. energy: -3.279
local terms energy: -506.014354
where:
bonds (distance) C4'-P energy: -80.484
bonds (distance) P-C4' energy: -103.620
flat angles C4'-P-C4' energy: -111.544
flat angles P-C4'-P energy: -81.298
tors. eta vs tors. theta energy: -129.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1575.485669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.485669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.485669 (E_RNA)
where:
Base-Base interactions energy: -1083.713
where: short stacking energy: -452.265
Base-Backbone interact. energy: -0.115
local terms energy: -491.657495
where:
bonds (distance) C4'-P energy: -85.456
bonds (distance) P-C4' energy: -103.052
flat angles C4'-P-C4' energy: -107.997
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -130.060
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: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1434.586843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.586843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.586843 (E_RNA)
where:
Base-Base interactions energy: -982.638
where: short stacking energy: -413.143
Base-Backbone interact. energy: 2.125
local terms energy: -454.073414
where:
bonds (distance) C4'-P energy: -88.017
bonds (distance) P-C4' energy: -94.284
flat angles C4'-P-C4' energy: -96.070
flat angles P-C4'-P energy: -66.799
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1183.366684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.366684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.366684 (E_RNA)
where:
Base-Base interactions energy: -779.911
where: short stacking energy: -354.631
Base-Backbone interact. energy: -3.322
local terms energy: -400.132728
where:
bonds (distance) C4'-P energy: -94.090
bonds (distance) P-C4' energy: -82.974
flat angles C4'-P-C4' energy: -92.991
flat angles P-C4'-P energy: -57.324
tors. eta vs tors. theta energy: -72.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1154.890451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.890451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.890451 (E_RNA)
where:
Base-Base interactions energy: -761.683
where: short stacking energy: -341.469
Base-Backbone interact. energy: -1.924
local terms energy: -391.283951
where:
bonds (distance) C4'-P energy: -84.784
bonds (distance) P-C4' energy: -77.126
flat angles C4'-P-C4' energy: -89.784
flat angles P-C4'-P energy: -65.858
tors. eta vs tors. theta energy: -73.732
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: 270
Temperature: 1.350000
Total energy: -1001.273576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.273576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.273576 (E_RNA)
where:
Base-Base interactions energy: -636.400
where: short stacking energy: -286.295
Base-Backbone interact. energy: 0.037
local terms energy: -364.910337
where:
bonds (distance) C4'-P energy: -74.491
bonds (distance) P-C4' energy: -83.960
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -44.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1927.847391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.847391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.847391 (E_RNA)
where:
Base-Base interactions energy: -1358.393
where: short stacking energy: -562.088
Base-Backbone interact. energy: -3.911
local terms energy: -565.543384
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -107.066
flat angles C4'-P-C4' energy: -132.098
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -146.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1862.537984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.537984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.537984 (E_RNA)
where:
Base-Base interactions energy: -1297.363
where: short stacking energy: -551.117
Base-Backbone interact. energy: -4.414
local terms energy: -560.760805
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -92.441
flat angles C4'-P-C4' energy: -125.573
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -157.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1802.164548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.164548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.164548 (E_RNA)
where:
Base-Base interactions energy: -1238.901
where: short stacking energy: -530.309
Base-Backbone interact. energy: -4.267
local terms energy: -558.996553
where:
bonds (distance) C4'-P energy: -102.614
bonds (distance) P-C4' energy: -109.657
flat angles C4'-P-C4' energy: -113.344
flat angles P-C4'-P energy: -86.484
tors. eta vs tors. theta energy: -146.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1707.289783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.289783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.289783 (E_RNA)
where:
Base-Base interactions energy: -1217.302
where: short stacking energy: -510.167
Base-Backbone interact. energy: -3.027
local terms energy: -486.960298
where:
bonds (distance) C4'-P energy: -91.630
bonds (distance) P-C4' energy: -92.132
flat angles C4'-P-C4' energy: -103.394
flat angles P-C4'-P energy: -64.490
tors. eta vs tors. theta energy: -135.314
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1622.259329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.259329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.259329 (E_RNA)
where:
Base-Base interactions energy: -1126.229
where: short stacking energy: -466.085
Base-Backbone interact. energy: -2.159
local terms energy: -493.870711
where:
bonds (distance) C4'-P energy: -98.835
bonds (distance) P-C4' energy: -101.775
flat angles C4'-P-C4' energy: -96.872
flat angles P-C4'-P energy: -83.762
tors. eta vs tors. theta energy: -112.628
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1598.217270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.217270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.217270 (E_RNA)
where:
Base-Base interactions energy: -1105.236
where: short stacking energy: -462.630
Base-Backbone interact. energy: -0.583
local terms energy: -492.398020
where:
bonds (distance) C4'-P energy: -91.032
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -114.174
flat angles P-C4'-P energy: -70.553
tors. eta vs tors. theta energy: -117.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1401.706522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.706522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.706522 (E_RNA)
where:
Base-Base interactions energy: -955.486
where: short stacking energy: -400.063
Base-Backbone interact. energy: -1.688
local terms energy: -444.532456
where:
bonds (distance) C4'-P energy: -91.690
bonds (distance) P-C4' energy: -87.714
flat angles C4'-P-C4' energy: -104.048
flat angles P-C4'-P energy: -61.080
tors. eta vs tors. theta energy: -100.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1219.282161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.282161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.282161 (E_RNA)
where:
Base-Base interactions energy: -813.042
where: short stacking energy: -367.188
Base-Backbone interact. energy: 0.638
local terms energy: -406.877573
where:
bonds (distance) C4'-P energy: -89.062
bonds (distance) P-C4' energy: -91.424
flat angles C4'-P-C4' energy: -90.995
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -76.091
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: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1141.202774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.202774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.202774 (E_RNA)
where:
Base-Base interactions energy: -748.218
where: short stacking energy: -334.209
Base-Backbone interact. energy: -1.919
local terms energy: -391.066501
where:
bonds (distance) C4'-P energy: -78.176
bonds (distance) P-C4' energy: -85.496
flat angles C4'-P-C4' energy: -96.981
flat angles P-C4'-P energy: -65.707
tors. eta vs tors. theta energy: -64.707
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: 271
Temperature: 1.350000
Total energy: -1002.511197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.511197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.511197 (E_RNA)
where:
Base-Base interactions energy: -645.570
where: short stacking energy: -293.486
Base-Backbone interact. energy: -3.929
local terms energy: -353.012493
where:
bonds (distance) C4'-P energy: -61.106
bonds (distance) P-C4' energy: -94.745
flat angles C4'-P-C4' energy: -84.766
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -69.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1941.733086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.733086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.733086 (E_RNA)
where:
Base-Base interactions energy: -1369.460
where: short stacking energy: -547.073
Base-Backbone interact. energy: -1.912
local terms energy: -570.361441
where:
bonds (distance) C4'-P energy: -96.212
bonds (distance) P-C4' energy: -113.153
flat angles C4'-P-C4' energy: -132.390
flat angles P-C4'-P energy: -78.537
tors. eta vs tors. theta energy: -150.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1859.396972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.396972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.396972 (E_RNA)
where:
Base-Base interactions energy: -1311.739
where: short stacking energy: -563.322
Base-Backbone interact. energy: -4.375
local terms energy: -543.283082
where:
bonds (distance) C4'-P energy: -100.760
bonds (distance) P-C4' energy: -106.227
flat angles C4'-P-C4' energy: -114.296
flat angles P-C4'-P energy: -67.617
tors. eta vs tors. theta energy: -154.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1793.840175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.840175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.840175 (E_RNA)
where:
Base-Base interactions energy: -1237.214
where: short stacking energy: -493.610
Base-Backbone interact. energy: -2.670
local terms energy: -553.956458
where:
bonds (distance) C4'-P energy: -102.923
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -117.760
flat angles P-C4'-P energy: -81.983
tors. eta vs tors. theta energy: -142.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1715.643809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.643809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.643809 (E_RNA)
where:
Base-Base interactions energy: -1193.943
where: short stacking energy: -490.655
Base-Backbone interact. energy: 3.550
local terms energy: -525.251089
where:
bonds (distance) C4'-P energy: -87.093
bonds (distance) P-C4' energy: -107.312
flat angles C4'-P-C4' energy: -111.553
flat angles P-C4'-P energy: -73.417
tors. eta vs tors. theta energy: -145.876
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: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1616.667091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.667091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.667091 (E_RNA)
where:
Base-Base interactions energy: -1139.502
where: short stacking energy: -442.068
Base-Backbone interact. energy: -2.685
local terms energy: -474.480706
where:
bonds (distance) C4'-P energy: -93.580
bonds (distance) P-C4' energy: -94.470
flat angles C4'-P-C4' energy: -102.469
flat angles P-C4'-P energy: -69.006
tors. eta vs tors. theta energy: -114.956
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: 272
Temperature: 1.150000
Total energy: -1619.609798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.609798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.609798 (E_RNA)
where:
Base-Base interactions energy: -1122.395
where: short stacking energy: -468.769
Base-Backbone interact. energy: 1.253
local terms energy: -498.467612
where:
bonds (distance) C4'-P energy: -98.116
bonds (distance) P-C4' energy: -97.030
flat angles C4'-P-C4' energy: -115.577
flat angles P-C4'-P energy: -68.771
tors. eta vs tors. theta energy: -118.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1281.306960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.306960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.306960 (E_RNA)
where:
Base-Base interactions energy: -842.849
where: short stacking energy: -371.651
Base-Backbone interact. energy: 0.284
local terms energy: -438.741636
where:
bonds (distance) C4'-P energy: -80.305
bonds (distance) P-C4' energy: -101.952
flat angles C4'-P-C4' energy: -89.411
flat angles P-C4'-P energy: -68.368
tors. eta vs tors. theta energy: -98.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1317.998067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.998067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.998067 (E_RNA)
where:
Base-Base interactions energy: -886.624
where: short stacking energy: -368.735
Base-Backbone interact. energy: -2.369
local terms energy: -429.004203
where:
bonds (distance) C4'-P energy: -83.748
bonds (distance) P-C4' energy: -93.848
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -62.877
tors. eta vs tors. theta energy: -85.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1088.293774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.293774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.293774 (E_RNA)
where:
Base-Base interactions energy: -693.119
where: short stacking energy: -315.083
Base-Backbone interact. energy: -2.664
local terms energy: -392.511156
where:
bonds (distance) C4'-P energy: -98.812
bonds (distance) P-C4' energy: -89.538
flat angles C4'-P-C4' energy: -83.352
flat angles P-C4'-P energy: -62.826
tors. eta vs tors. theta energy: -57.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -963.813944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.813944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.813944 (E_RNA)
where:
Base-Base interactions energy: -633.006
where: short stacking energy: -311.285
Base-Backbone interact. energy: -2.405
local terms energy: -328.403109
where:
bonds (distance) C4'-P energy: -73.379
bonds (distance) P-C4' energy: -67.226
flat angles C4'-P-C4' energy: -74.623
flat angles P-C4'-P energy: -54.485
tors. eta vs tors. theta energy: -58.690
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: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1955.527129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.527129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.527129 (E_RNA)
where:
Base-Base interactions energy: -1382.226
where: short stacking energy: -564.149
Base-Backbone interact. energy: -2.986
local terms energy: -570.315284
where:
bonds (distance) C4'-P energy: -112.348
bonds (distance) P-C4' energy: -102.556
flat angles C4'-P-C4' energy: -124.292
flat angles P-C4'-P energy: -83.883
tors. eta vs tors. theta energy: -147.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1865.202002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.202002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.202002 (E_RNA)
where:
Base-Base interactions energy: -1308.892
where: short stacking energy: -541.276
Base-Backbone interact. energy: -3.062
local terms energy: -553.247366
where:
bonds (distance) C4'-P energy: -102.282
bonds (distance) P-C4' energy: -104.009
flat angles C4'-P-C4' energy: -121.733
flat angles P-C4'-P energy: -81.408
tors. eta vs tors. theta energy: -143.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1776.519242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.519242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.519242 (E_RNA)
where:
Base-Base interactions energy: -1261.186
where: short stacking energy: -520.179
Base-Backbone interact. energy: -1.956
local terms energy: -513.377382
where:
bonds (distance) C4'-P energy: -102.782
bonds (distance) P-C4' energy: -91.629
flat angles C4'-P-C4' energy: -112.398
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -137.548
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: 273
Temperature: 1.050000
Total energy: -1709.353518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.353518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.353518 (E_RNA)
where:
Base-Base interactions energy: -1192.877
where: short stacking energy: -509.141
Base-Backbone interact. energy: -1.952
local terms energy: -514.524788
where:
bonds (distance) C4'-P energy: -91.968
bonds (distance) P-C4' energy: -96.492
flat angles C4'-P-C4' energy: -113.263
flat angles P-C4'-P energy: -76.562
tors. eta vs tors. theta energy: -136.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1684.254748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.254748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.254748 (E_RNA)
where:
Base-Base interactions energy: -1191.282
where: short stacking energy: -489.413
Base-Backbone interact. energy: 3.299
local terms energy: -496.271269
where:
bonds (distance) C4'-P energy: -91.172
bonds (distance) P-C4' energy: -95.213
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -73.187
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: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1596.568591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.568591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.568591 (E_RNA)
where:
Base-Base interactions energy: -1115.650
where: short stacking energy: -474.583
Base-Backbone interact. energy: 2.920
local terms energy: -483.839248
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -79.480
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -124.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1238.940182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.940182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.940182 (E_RNA)
where:
Base-Base interactions energy: -835.339
where: short stacking energy: -363.441
Base-Backbone interact. energy: -3.247
local terms energy: -400.354870
where:
bonds (distance) C4'-P energy: -92.750
bonds (distance) P-C4' energy: -86.448
flat angles C4'-P-C4' energy: -86.418
flat angles P-C4'-P energy: -52.717
tors. eta vs tors. theta energy: -82.022
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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1315.074606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.074606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.074606 (E_RNA)
where:
Base-Base interactions energy: -901.519
where: short stacking energy: -389.909
Base-Backbone interact. energy: -1.783
local terms energy: -411.772759
where:
bonds (distance) C4'-P energy: -79.960
bonds (distance) P-C4' energy: -98.117
flat angles C4'-P-C4' energy: -93.300
flat angles P-C4'-P energy: -53.550
tors. eta vs tors. theta energy: -86.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1104.358940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.358940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.358940 (E_RNA)
where:
Base-Base interactions energy: -719.318
where: short stacking energy: -320.263
Base-Backbone interact. energy: 0.908
local terms energy: -385.949130
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -86.573
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: -64.395
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: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -957.315454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.315454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.315454 (E_RNA)
where:
Base-Base interactions energy: -613.242
where: short stacking energy: -268.434
Base-Backbone interact. energy: 1.951
local terms energy: -346.024662
where:
bonds (distance) C4'-P energy: -90.297
bonds (distance) P-C4' energy: -76.124
flat angles C4'-P-C4' energy: -92.444
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -49.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1962.347077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.347077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.347077 (E_RNA)
where:
Base-Base interactions energy: -1411.134
where: short stacking energy: -562.195
Base-Backbone interact. energy: -1.213
local terms energy: -549.999659
where:
bonds (distance) C4'-P energy: -99.406
bonds (distance) P-C4' energy: -99.510
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -152.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1854.787785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.787785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.787785 (E_RNA)
where:
Base-Base interactions energy: -1301.679
where: short stacking energy: -536.702
Base-Backbone interact. energy: -2.137
local terms energy: -550.971282
where:
bonds (distance) C4'-P energy: -107.343
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -113.120
flat angles P-C4'-P energy: -85.836
tors. eta vs tors. theta energy: -145.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1796.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.507601 (E_RNA)
where:
Base-Base interactions energy: -1256.285
where: short stacking energy: -520.813
Base-Backbone interact. energy: -4.996
local terms energy: -535.226636
where:
bonds (distance) C4'-P energy: -83.479
bonds (distance) P-C4' energy: -100.880
flat angles C4'-P-C4' energy: -117.755
flat angles P-C4'-P energy: -84.988
tors. eta vs tors. theta energy: -148.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1671.816159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.816159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.816159 (E_RNA)
where:
Base-Base interactions energy: -1164.812
where: short stacking energy: -496.825
Base-Backbone interact. energy: -3.107
local terms energy: -503.896708
where:
bonds (distance) C4'-P energy: -110.427
bonds (distance) P-C4' energy: -93.622
flat angles C4'-P-C4' energy: -96.471
flat angles P-C4'-P energy: -72.140
tors. eta vs tors. theta energy: -131.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1675.408760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.408760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.408760 (E_RNA)
where:
Base-Base interactions energy: -1164.809
where: short stacking energy: -475.709
Base-Backbone interact. energy: 3.574
local terms energy: -514.173142
where:
bonds (distance) C4'-P energy: -102.028
bonds (distance) P-C4' energy: -98.552
flat angles C4'-P-C4' energy: -109.886
flat angles P-C4'-P energy: -81.029
tors. eta vs tors. theta energy: -122.679
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: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1568.759250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.759250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.759250 (E_RNA)
where:
Base-Base interactions energy: -1095.201
where: short stacking energy: -450.409
Base-Backbone interact. energy: -2.944
local terms energy: -470.614025
where:
bonds (distance) C4'-P energy: -99.257
bonds (distance) P-C4' energy: -94.419
flat angles C4'-P-C4' energy: -94.329
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -124.861
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: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1362.840435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.840435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.840435 (E_RNA)
where:
Base-Base interactions energy: -920.810
where: short stacking energy: -396.243
Base-Backbone interact. energy: -0.592
local terms energy: -441.438418
where:
bonds (distance) C4'-P energy: -98.699
bonds (distance) P-C4' energy: -87.261
flat angles C4'-P-C4' energy: -104.254
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -93.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1194.863886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.863886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.863886 (E_RNA)
where:
Base-Base interactions energy: -802.774
where: short stacking energy: -351.358
Base-Backbone interact. energy: 0.125
local terms energy: -392.215155
where:
bonds (distance) C4'-P energy: -94.386
bonds (distance) P-C4' energy: -81.068
flat angles C4'-P-C4' energy: -93.935
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: -68.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1108.146680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.146680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.146680 (E_RNA)
where:
Base-Base interactions energy: -719.281
where: short stacking energy: -310.640
Base-Backbone interact. energy: 2.430
local terms energy: -391.295201
where:
bonds (distance) C4'-P energy: -95.461
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -69.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -897.162495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.162495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.162495 (E_RNA)
where:
Base-Base interactions energy: -551.151
where: short stacking energy: -256.668
Base-Backbone interact. energy: 0.548
local terms energy: -346.559956
where:
bonds (distance) C4'-P energy: -76.134
bonds (distance) P-C4' energy: -90.944
flat angles C4'-P-C4' energy: -79.288
flat angles P-C4'-P energy: -42.518
tors. eta vs tors. theta energy: -57.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1959.073697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.073697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.073697 (E_RNA)
where:
Base-Base interactions energy: -1390.870
where: short stacking energy: -566.366
Base-Backbone interact. energy: -2.860
local terms energy: -565.343681
where:
bonds (distance) C4'-P energy: -110.523
bonds (distance) P-C4' energy: -101.706
flat angles C4'-P-C4' energy: -121.743
flat angles P-C4'-P energy: -82.751
tors. eta vs tors. theta energy: -148.621
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: 275
Temperature: 0.950000
Total energy: -1869.120365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.120365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.120365 (E_RNA)
where:
Base-Base interactions energy: -1302.031
where: short stacking energy: -548.328
Base-Backbone interact. energy: -3.673
local terms energy: -563.415997
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -102.828
flat angles C4'-P-C4' energy: -127.717
flat angles P-C4'-P energy: -70.045
tors. eta vs tors. theta energy: -159.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1792.379980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.379980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.379980 (E_RNA)
where:
Base-Base interactions energy: -1243.005
where: short stacking energy: -525.391
Base-Backbone interact. energy: -1.593
local terms energy: -547.782826
where:
bonds (distance) C4'-P energy: -107.654
bonds (distance) P-C4' energy: -99.154
flat angles C4'-P-C4' energy: -118.078
flat angles P-C4'-P energy: -84.029
tors. eta vs tors. theta energy: -138.867
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1718.207382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.207382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.207382 (E_RNA)
where:
Base-Base interactions energy: -1213.372
where: short stacking energy: -524.957
Base-Backbone interact. energy: -3.308
local terms energy: -501.527782
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -110.639
flat angles P-C4'-P energy: -69.661
tors. eta vs tors. theta energy: -130.913
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: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1641.996631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.996631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.996631 (E_RNA)
where:
Base-Base interactions energy: -1121.013
where: short stacking energy: -459.579
Base-Backbone interact. energy: -2.773
local terms energy: -518.210235
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -107.076
flat angles C4'-P-C4' energy: -121.931
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -113.850
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: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1555.023875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.023875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.023875 (E_RNA)
where:
Base-Base interactions energy: -1087.619
where: short stacking energy: -455.279
Base-Backbone interact. energy: -0.543
local terms energy: -466.862374
where:
bonds (distance) C4'-P energy: -77.462
bonds (distance) P-C4' energy: -91.767
flat angles C4'-P-C4' energy: -107.923
flat angles P-C4'-P energy: -72.083
tors. eta vs tors. theta energy: -117.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1426.100598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.100598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.100598 (E_RNA)
where:
Base-Base interactions energy: -967.136
where: short stacking energy: -390.096
Base-Backbone interact. energy: -3.269
local terms energy: -455.694989
where:
bonds (distance) C4'-P energy: -97.575
bonds (distance) P-C4' energy: -86.267
flat angles C4'-P-C4' energy: -105.919
flat angles P-C4'-P energy: -69.478
tors. eta vs tors. theta energy: -96.456
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: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1222.079404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.079404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.079404 (E_RNA)
where:
Base-Base interactions energy: -804.969
where: short stacking energy: -330.280
Base-Backbone interact. energy: -0.472
local terms energy: -416.638729
where:
bonds (distance) C4'-P energy: -92.256
bonds (distance) P-C4' energy: -92.262
flat angles C4'-P-C4' energy: -103.688
flat angles P-C4'-P energy: -58.400
tors. eta vs tors. theta energy: -70.033
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: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1076.079229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.079229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.079229 (E_RNA)
where:
Base-Base interactions energy: -697.078
where: short stacking energy: -295.251
Base-Backbone interact. energy: -0.655
local terms energy: -378.345834
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -86.757
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -45.748
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: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -810.439808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.439808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.439808 (E_RNA)
where:
Base-Base interactions energy: -481.335
where: short stacking energy: -233.865
Base-Backbone interact. energy: 1.103
local terms energy: -330.207821
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -73.501
flat angles C4'-P-C4' energy: -86.232
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1931.852879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.852879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.852879 (E_RNA)
where:
Base-Base interactions energy: -1374.081
where: short stacking energy: -587.022
Base-Backbone interact. energy: -3.389
local terms energy: -554.383402
where:
bonds (distance) C4'-P energy: -93.095
bonds (distance) P-C4' energy: -100.893
flat angles C4'-P-C4' energy: -125.790
flat angles P-C4'-P energy: -78.975
tors. eta vs tors. theta energy: -155.630
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: 276
Temperature: 0.950000
Total energy: -1844.288569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.288569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.288569 (E_RNA)
where:
Base-Base interactions energy: -1282.898
where: short stacking energy: -550.411
Base-Backbone interact. energy: -0.084
local terms energy: -561.306793
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -113.357
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -148.988
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: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1791.669268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.669268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.669268 (E_RNA)
where:
Base-Base interactions energy: -1261.223
where: short stacking energy: -520.103
Base-Backbone interact. energy: -0.730
local terms energy: -529.716254
where:
bonds (distance) C4'-P energy: -104.187
bonds (distance) P-C4' energy: -101.164
flat angles C4'-P-C4' energy: -112.367
flat angles P-C4'-P energy: -70.475
tors. eta vs tors. theta energy: -141.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1712.093287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.093287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.093287 (E_RNA)
where:
Base-Base interactions energy: -1174.826
where: short stacking energy: -500.795
Base-Backbone interact. energy: 3.777
local terms energy: -541.044966
where:
bonds (distance) C4'-P energy: -112.287
bonds (distance) P-C4' energy: -104.368
flat angles C4'-P-C4' energy: -117.033
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -134.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1653.593741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.593741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.593741 (E_RNA)
where:
Base-Base interactions energy: -1147.156
where: short stacking energy: -475.050
Base-Backbone interact. energy: -3.411
local terms energy: -503.026693
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -116.117
flat angles P-C4'-P energy: -63.174
tors. eta vs tors. theta energy: -116.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1585.365744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.365744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.365744 (E_RNA)
where:
Base-Base interactions energy: -1115.155
where: short stacking energy: -480.050
Base-Backbone interact. energy: -0.259
local terms energy: -469.951636
where:
bonds (distance) C4'-P energy: -91.200
bonds (distance) P-C4' energy: -103.241
flat angles C4'-P-C4' energy: -99.707
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -117.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1407.684833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.684833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.684833 (E_RNA)
where:
Base-Base interactions energy: -975.891
where: short stacking energy: -425.830
Base-Backbone interact. energy: -1.618
local terms energy: -430.175281
where:
bonds (distance) C4'-P energy: -86.428
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -99.007
flat angles P-C4'-P energy: -60.416
tors. eta vs tors. theta energy: -96.361
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: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1216.665611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.665611 (E_RNA)
where:
Base-Base interactions energy: -806.218
where: short stacking energy: -353.513
Base-Backbone interact. energy: -0.752
local terms energy: -409.694951
where:
bonds (distance) C4'-P energy: -84.573
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -93.885
flat angles P-C4'-P energy: -66.429
tors. eta vs tors. theta energy: -77.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1081.274379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.274379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.274379 (E_RNA)
where:
Base-Base interactions energy: -690.675
where: short stacking energy: -327.820
Base-Backbone interact. energy: 0.987
local terms energy: -391.586444
where:
bonds (distance) C4'-P energy: -82.686
bonds (distance) P-C4' energy: -103.184
flat angles C4'-P-C4' energy: -83.523
flat angles P-C4'-P energy: -53.005
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -832.929925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.929925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.929925 (E_RNA)
where:
Base-Base interactions energy: -500.727
where: short stacking energy: -252.495
Base-Backbone interact. energy: -0.119
local terms energy: -332.083912
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -93.396
flat angles C4'-P-C4' energy: -83.822
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -37.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1976.757302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.757302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.757302 (E_RNA)
where:
Base-Base interactions energy: -1383.579
where: short stacking energy: -595.585
Base-Backbone interact. energy: -3.088
local terms energy: -590.090450
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -113.575
flat angles C4'-P-C4' energy: -122.265
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -162.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1869.340198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.340198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.340198 (E_RNA)
where:
Base-Base interactions energy: -1289.838
where: short stacking energy: -563.036
Base-Backbone interact. energy: -0.455
local terms energy: -579.046630
where:
bonds (distance) C4'-P energy: -110.496
bonds (distance) P-C4' energy: -115.703
flat angles C4'-P-C4' energy: -123.857
flat angles P-C4'-P energy: -80.287
tors. eta vs tors. theta energy: -148.703
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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1771.249427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.249427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.249427 (E_RNA)
where:
Base-Base interactions energy: -1234.815
where: short stacking energy: -525.985
Base-Backbone interact. energy: -3.442
local terms energy: -532.992195
where:
bonds (distance) C4'-P energy: -96.009
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -120.061
flat angles P-C4'-P energy: -88.230
tors. eta vs tors. theta energy: -134.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1716.875927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.875927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.875927 (E_RNA)
where:
Base-Base interactions energy: -1233.324
where: short stacking energy: -527.792
Base-Backbone interact. energy: 1.336
local terms energy: -484.887933
where:
bonds (distance) C4'-P energy: -91.663
bonds (distance) P-C4' energy: -88.288
flat angles C4'-P-C4' energy: -121.249
flat angles P-C4'-P energy: -54.786
tors. eta vs tors. theta energy: -128.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1657.628279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.628279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.628279 (E_RNA)
where:
Base-Base interactions energy: -1167.517
where: short stacking energy: -485.811
Base-Backbone interact. energy: -3.289
local terms energy: -486.821873
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -97.681
flat angles C4'-P-C4' energy: -101.174
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -137.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1580.647617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.647617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.647617 (E_RNA)
where:
Base-Base interactions energy: -1125.725
where: short stacking energy: -483.337
Base-Backbone interact. energy: -0.743
local terms energy: -454.180024
where:
bonds (distance) C4'-P energy: -82.201
bonds (distance) P-C4' energy: -90.060
flat angles C4'-P-C4' energy: -95.552
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -126.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1377.167204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.167204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.167204 (E_RNA)
where:
Base-Base interactions energy: -943.847
where: short stacking energy: -413.222
Base-Backbone interact. energy: -2.653
local terms energy: -430.666527
where:
bonds (distance) C4'-P energy: -82.226
bonds (distance) P-C4' energy: -86.932
flat angles C4'-P-C4' energy: -104.465
flat angles P-C4'-P energy: -59.386
tors. eta vs tors. theta energy: -97.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1200.987034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.987034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.987034 (E_RNA)
where:
Base-Base interactions energy: -794.045
where: short stacking energy: -335.761
Base-Backbone interact. energy: -2.378
local terms energy: -404.564389
where:
bonds (distance) C4'-P energy: -83.214
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -83.810
flat angles P-C4'-P energy: -63.019
tors. eta vs tors. theta energy: -80.038
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: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1060.463157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.463157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.463157 (E_RNA)
where:
Base-Base interactions energy: -711.305
where: short stacking energy: -305.940
Base-Backbone interact. energy: 2.052
local terms energy: -351.209566
where:
bonds (distance) C4'-P energy: -88.135
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -93.125
flat angles P-C4'-P energy: -51.480
tors. eta vs tors. theta energy: -44.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -837.959065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.959065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.959065 (E_RNA)
where:
Base-Base interactions energy: -505.919
where: short stacking energy: -233.483
Base-Backbone interact. energy: -4.433
local terms energy: -327.607475
where:
bonds (distance) C4'-P energy: -74.912
bonds (distance) P-C4' energy: -81.843
flat angles C4'-P-C4' energy: -87.297
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -29.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1940.373495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.373495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.373495 (E_RNA)
where:
Base-Base interactions energy: -1368.288
where: short stacking energy: -563.791
Base-Backbone interact. energy: -2.416
local terms energy: -569.669481
where:
bonds (distance) C4'-P energy: -93.596
bonds (distance) P-C4' energy: -109.444
flat angles C4'-P-C4' energy: -125.488
flat angles P-C4'-P energy: -84.274
tors. eta vs tors. theta energy: -156.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1834.849639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.849639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.849639 (E_RNA)
where:
Base-Base interactions energy: -1286.390
where: short stacking energy: -546.333
Base-Backbone interact. energy: -3.170
local terms energy: -545.289455
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -99.692
flat angles C4'-P-C4' energy: -112.825
flat angles P-C4'-P energy: -81.392
tors. eta vs tors. theta energy: -149.140
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: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1735.508541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.508541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.508541 (E_RNA)
where:
Base-Base interactions energy: -1180.517
where: short stacking energy: -496.323
Base-Backbone interact. energy: 0.577
local terms energy: -555.568593
where:
bonds (distance) C4'-P energy: -96.281
bonds (distance) P-C4' energy: -107.334
flat angles C4'-P-C4' energy: -123.959
flat angles P-C4'-P energy: -86.002
tors. eta vs tors. theta energy: -141.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1707.795149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.795149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.795149 (E_RNA)
where:
Base-Base interactions energy: -1211.083
where: short stacking energy: -488.582
Base-Backbone interact. energy: -2.561
local terms energy: -494.150574
where:
bonds (distance) C4'-P energy: -84.691
bonds (distance) P-C4' energy: -93.887
flat angles C4'-P-C4' energy: -117.225
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -132.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1625.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.869370 (E_RNA)
where:
Base-Base interactions energy: -1129.413
where: short stacking energy: -453.798
Base-Backbone interact. energy: -0.572
local terms energy: -495.883779
where:
bonds (distance) C4'-P energy: -79.036
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -119.997
flat angles P-C4'-P energy: -79.962
tors. eta vs tors. theta energy: -108.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1588.949444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.949444 (E_RNA)
where:
Base-Base interactions energy: -1140.144
where: short stacking energy: -467.595
Base-Backbone interact. energy: -0.848
local terms energy: -447.957555
where:
bonds (distance) C4'-P energy: -82.133
bonds (distance) P-C4' energy: -83.212
flat angles C4'-P-C4' energy: -93.733
flat angles P-C4'-P energy: -67.070
tors. eta vs tors. theta energy: -121.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1387.105161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.105161 (E_RNA)
where:
Base-Base interactions energy: -924.383
where: short stacking energy: -407.705
Base-Backbone interact. energy: -2.665
local terms energy: -460.057123
where:
bonds (distance) C4'-P energy: -83.722
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -95.205
flat angles P-C4'-P energy: -77.624
tors. eta vs tors. theta energy: -108.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1211.311589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.311589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.311589 (E_RNA)
where:
Base-Base interactions energy: -817.223
where: short stacking energy: -362.893
Base-Backbone interact. energy: 3.558
local terms energy: -397.646898
where:
bonds (distance) C4'-P energy: -78.263
bonds (distance) P-C4' energy: -99.062
flat angles C4'-P-C4' energy: -82.428
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -85.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1036.571567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.571567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.571567 (E_RNA)
where:
Base-Base interactions energy: -655.716
where: short stacking energy: -275.691
Base-Backbone interact. energy: 1.458
local terms energy: -382.313567
where:
bonds (distance) C4'-P energy: -84.764
bonds (distance) P-C4' energy: -103.486
flat angles C4'-P-C4' energy: -92.725
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -46.844
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: 278
Temperature: 1.350000
Total energy: -873.929504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.929504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.929504 (E_RNA)
where:
Base-Base interactions energy: -533.721
where: short stacking energy: -245.017
Base-Backbone interact. energy: -0.411
local terms energy: -339.797643
where:
bonds (distance) C4'-P energy: -73.870
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -83.753
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -34.977
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: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1931.648568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.648568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.648568 (E_RNA)
where:
Base-Base interactions energy: -1359.882
where: short stacking energy: -554.464
Base-Backbone interact. energy: -4.166
local terms energy: -567.600874
where:
bonds (distance) C4'-P energy: -104.953
bonds (distance) P-C4' energy: -99.458
flat angles C4'-P-C4' energy: -125.307
flat angles P-C4'-P energy: -84.334
tors. eta vs tors. theta energy: -153.549
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: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1838.626963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.626963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.626963 (E_RNA)
where:
Base-Base interactions energy: -1274.795
where: short stacking energy: -534.458
Base-Backbone interact. energy: -0.275
local terms energy: -563.556775
where:
bonds (distance) C4'-P energy: -100.979
bonds (distance) P-C4' energy: -105.384
flat angles C4'-P-C4' energy: -124.901
flat angles P-C4'-P energy: -91.740
tors. eta vs tors. theta energy: -140.553
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: 279
Temperature: 1.000000
Total energy: -1795.139765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.139765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.139765 (E_RNA)
where:
Base-Base interactions energy: -1271.563
where: short stacking energy: -521.525
Base-Backbone interact. energy: -3.199
local terms energy: -520.377508
where:
bonds (distance) C4'-P energy: -90.325
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -118.304
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -132.910
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1696.265811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.265811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.265811 (E_RNA)
where:
Base-Base interactions energy: -1182.603
where: short stacking energy: -496.033
Base-Backbone interact. energy: -4.438
local terms energy: -509.225356
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -106.857
flat angles C4'-P-C4' energy: -111.994
flat angles P-C4'-P energy: -65.289
tors. eta vs tors. theta energy: -123.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1614.747254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.747254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.747254 (E_RNA)
where:
Base-Base interactions energy: -1112.994
where: short stacking energy: -485.512
Base-Backbone interact. energy: -0.103
local terms energy: -501.649851
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -109.093
flat angles C4'-P-C4' energy: -104.925
flat angles P-C4'-P energy: -62.920
tors. eta vs tors. theta energy: -131.336
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1582.779896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.779896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.779896 (E_RNA)
where:
Base-Base interactions energy: -1091.054
where: short stacking energy: -457.563
Base-Backbone interact. energy: 2.103
local terms energy: -493.828642
where:
bonds (distance) C4'-P energy: -93.359
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -113.119
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -126.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1380.016518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.016518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.016518 (E_RNA)
where:
Base-Base interactions energy: -966.580
where: short stacking energy: -419.619
Base-Backbone interact. energy: -1.376
local terms energy: -412.060421
where:
bonds (distance) C4'-P energy: -88.394
bonds (distance) P-C4' energy: -73.729
flat angles C4'-P-C4' energy: -101.843
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -96.611
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: 279
Temperature: 1.250000
Total energy: -1200.193319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.193319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.193319 (E_RNA)
where:
Base-Base interactions energy: -785.013
where: short stacking energy: -346.365
Base-Backbone interact. energy: 0.383
local terms energy: -415.563904
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -91.227
flat angles P-C4'-P energy: -52.114
tors. eta vs tors. theta energy: -81.766
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: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1073.910999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.910999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.910999 (E_RNA)
where:
Base-Base interactions energy: -703.925
where: short stacking energy: -302.266
Base-Backbone interact. energy: -3.455
local terms energy: -366.530952
where:
bonds (distance) C4'-P energy: -74.323
bonds (distance) P-C4' energy: -82.996
flat angles C4'-P-C4' energy: -102.857
flat angles P-C4'-P energy: -68.548
tors. eta vs tors. theta energy: -37.807
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: 279
Temperature: 1.350000
Total energy: -815.228748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.228748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.228748 (E_RNA)
where:
Base-Base interactions energy: -486.988
where: short stacking energy: -222.958
Base-Backbone interact. energy: 4.893
local terms energy: -333.133685
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -99.166
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1923.531319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.531319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.531319 (E_RNA)
where:
Base-Base interactions energy: -1347.937
where: short stacking energy: -563.229
Base-Backbone interact. energy: 0.385
local terms energy: -575.979656
where:
bonds (distance) C4'-P energy: -108.313
bonds (distance) P-C4' energy: -106.523
flat angles C4'-P-C4' energy: -123.505
flat angles P-C4'-P energy: -82.635
tors. eta vs tors. theta energy: -155.004
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: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1836.644208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.644208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.644208 (E_RNA)
where:
Base-Base interactions energy: -1273.542
where: short stacking energy: -537.199
Base-Backbone interact. energy: -5.706
local terms energy: -557.396244
where:
bonds (distance) C4'-P energy: -106.554
bonds (distance) P-C4' energy: -103.335
flat angles C4'-P-C4' energy: -128.163
flat angles P-C4'-P energy: -67.557
tors. eta vs tors. theta energy: -151.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1796.300114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.300114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.300114 (E_RNA)
where:
Base-Base interactions energy: -1251.309
where: short stacking energy: -528.565
Base-Backbone interact. energy: -2.827
local terms energy: -542.164543
where:
bonds (distance) C4'-P energy: -104.784
bonds (distance) P-C4' energy: -105.836
flat angles C4'-P-C4' energy: -114.680
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -137.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1714.429524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.429524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.429524 (E_RNA)
where:
Base-Base interactions energy: -1214.118
where: short stacking energy: -492.533
Base-Backbone interact. energy: -2.018
local terms energy: -498.293643
where:
bonds (distance) C4'-P energy: -100.615
bonds (distance) P-C4' energy: -94.587
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -127.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1594.780773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.780773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.780773 (E_RNA)
where:
Base-Base interactions energy: -1098.794
where: short stacking energy: -479.990
Base-Backbone interact. energy: 1.770
local terms energy: -497.756653
where:
bonds (distance) C4'-P energy: -92.609
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -105.080
flat angles P-C4'-P energy: -77.380
tors. eta vs tors. theta energy: -115.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1577.793205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.793205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.793205 (E_RNA)
where:
Base-Base interactions energy: -1070.733
where: short stacking energy: -450.362
Base-Backbone interact. energy: 2.702
local terms energy: -509.762925
where:
bonds (distance) C4'-P energy: -102.136
bonds (distance) P-C4' energy: -84.765
flat angles C4'-P-C4' energy: -107.607
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -131.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1401.989107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.989107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.989107 (E_RNA)
where:
Base-Base interactions energy: -964.600
where: short stacking energy: -416.508
Base-Backbone interact. energy: 2.191
local terms energy: -439.579789
where:
bonds (distance) C4'-P energy: -83.180
bonds (distance) P-C4' energy: -84.032
flat angles C4'-P-C4' energy: -103.025
flat angles P-C4'-P energy: -61.702
tors. eta vs tors. theta energy: -107.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1192.128483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.128483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.128483 (E_RNA)
where:
Base-Base interactions energy: -750.038
where: short stacking energy: -347.274
Base-Backbone interact. energy: -0.271
local terms energy: -441.819122
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -98.488
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -75.795
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: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1044.884545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.884545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.884545 (E_RNA)
where:
Base-Base interactions energy: -691.952
where: short stacking energy: -300.161
Base-Backbone interact. energy: -2.120
local terms energy: -350.811965
where:
bonds (distance) C4'-P energy: -91.404
bonds (distance) P-C4' energy: -88.131
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -58.266
tors. eta vs tors. theta energy: -48.649
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: 280
Temperature: 1.350000
Total energy: -889.525669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.525669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.525669 (E_RNA)
where:
Base-Base interactions energy: -567.049
where: short stacking energy: -251.366
Base-Backbone interact. energy: -2.520
local terms energy: -319.957474
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -85.785
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -40.973
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: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1942.095758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.095758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.095758 (E_RNA)
where:
Base-Base interactions energy: -1362.454
where: short stacking energy: -562.533
Base-Backbone interact. energy: -4.261
local terms energy: -575.380817
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -124.716
flat angles P-C4'-P energy: -84.722
tors. eta vs tors. theta energy: -158.575
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: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1846.550439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.550439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.550439 (E_RNA)
where:
Base-Base interactions energy: -1287.205
where: short stacking energy: -552.627
Base-Backbone interact. energy: 1.576
local terms energy: -560.921860
where:
bonds (distance) C4'-P energy: -104.451
bonds (distance) P-C4' energy: -94.524
flat angles C4'-P-C4' energy: -124.913
flat angles P-C4'-P energy: -88.379
tors. eta vs tors. theta energy: -148.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1800.139886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.139886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.139886 (E_RNA)
where:
Base-Base interactions energy: -1261.578
where: short stacking energy: -524.150
Base-Backbone interact. energy: -3.351
local terms energy: -535.210690
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -98.618
flat angles C4'-P-C4' energy: -117.938
flat angles P-C4'-P energy: -76.107
tors. eta vs tors. theta energy: -140.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1715.249139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.249139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.249139 (E_RNA)
where:
Base-Base interactions energy: -1198.449
where: short stacking energy: -509.228
Base-Backbone interact. energy: -3.047
local terms energy: -513.753701
where:
bonds (distance) C4'-P energy: -102.348
bonds (distance) P-C4' energy: -104.798
flat angles C4'-P-C4' energy: -104.824
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -134.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1604.576096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.576096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.576096 (E_RNA)
where:
Base-Base interactions energy: -1122.809
where: short stacking energy: -484.189
Base-Backbone interact. energy: 1.368
local terms energy: -483.135092
where:
bonds (distance) C4'-P energy: -89.006
bonds (distance) P-C4' energy: -88.863
flat angles C4'-P-C4' energy: -105.575
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -128.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1602.280539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.280539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.280539 (E_RNA)
where:
Base-Base interactions energy: -1142.317
where: short stacking energy: -463.727
Base-Backbone interact. energy: -2.405
local terms energy: -457.558389
where:
bonds (distance) C4'-P energy: -91.924
bonds (distance) P-C4' energy: -85.738
flat angles C4'-P-C4' energy: -103.445
flat angles P-C4'-P energy: -68.086
tors. eta vs tors. theta energy: -108.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1412.709749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.709749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.709749 (E_RNA)
where:
Base-Base interactions energy: -959.785
where: short stacking energy: -396.193
Base-Backbone interact. energy: -3.185
local terms energy: -449.738949
where:
bonds (distance) C4'-P energy: -66.586
bonds (distance) P-C4' energy: -99.292
flat angles C4'-P-C4' energy: -109.973
flat angles P-C4'-P energy: -70.538
tors. eta vs tors. theta energy: -103.350
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: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1194.232400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.232400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.232400 (E_RNA)
where:
Base-Base interactions energy: -770.811
where: short stacking energy: -340.473
Base-Backbone interact. energy: -1.439
local terms energy: -421.981827
where:
bonds (distance) C4'-P energy: -83.487
bonds (distance) P-C4' energy: -85.006
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -67.707
tors. eta vs tors. theta energy: -81.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1075.812149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.812149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.812149 (E_RNA)
where:
Base-Base interactions energy: -718.487
where: short stacking energy: -320.458
Base-Backbone interact. energy: 1.016
local terms energy: -358.341036
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -84.402
flat angles C4'-P-C4' energy: -102.600
flat angles P-C4'-P energy: -49.313
tors. eta vs tors. theta energy: -57.568
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: 281
Temperature: 1.350000
Total energy: -885.446098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.446098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.446098 (E_RNA)
where:
Base-Base interactions energy: -565.768
where: short stacking energy: -251.151
Base-Backbone interact. energy: -0.619
local terms energy: -319.058967
where:
bonds (distance) C4'-P energy: -71.219
bonds (distance) P-C4' energy: -85.854
flat angles C4'-P-C4' energy: -77.525
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -35.552
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: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1936.544068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.544068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.544068 (E_RNA)
where:
Base-Base interactions energy: -1380.221
where: short stacking energy: -550.324
Base-Backbone interact. energy: -5.353
local terms energy: -550.970003
where:
bonds (distance) C4'-P energy: -106.121
bonds (distance) P-C4' energy: -107.451
flat angles C4'-P-C4' energy: -111.185
flat angles P-C4'-P energy: -80.919
tors. eta vs tors. theta energy: -145.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1826.312057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.312057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.312057 (E_RNA)
where:
Base-Base interactions energy: -1262.328
where: short stacking energy: -529.436
Base-Backbone interact. energy: -3.443
local terms energy: -560.541599
where:
bonds (distance) C4'-P energy: -102.266
bonds (distance) P-C4' energy: -112.125
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -86.979
tors. eta vs tors. theta energy: -139.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1835.423793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.423793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.423793 (E_RNA)
where:
Base-Base interactions energy: -1285.796
where: short stacking energy: -534.470
Base-Backbone interact. energy: -4.818
local terms energy: -544.810369
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -97.923
flat angles C4'-P-C4' energy: -116.232
flat angles P-C4'-P energy: -83.384
tors. eta vs tors. theta energy: -142.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1662.191061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.191061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.191061 (E_RNA)
where:
Base-Base interactions energy: -1159.034
where: short stacking energy: -482.066
Base-Backbone interact. energy: -0.933
local terms energy: -502.224711
where:
bonds (distance) C4'-P energy: -97.901
bonds (distance) P-C4' energy: -102.409
flat angles C4'-P-C4' energy: -109.666
flat angles P-C4'-P energy: -73.392
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: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1676.544733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.544733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.544733 (E_RNA)
where:
Base-Base interactions energy: -1178.951
where: short stacking energy: -455.309
Base-Backbone interact. energy: -0.274
local terms energy: -497.319613
where:
bonds (distance) C4'-P energy: -99.994
bonds (distance) P-C4' energy: -103.336
flat angles C4'-P-C4' energy: -98.279
flat angles P-C4'-P energy: -74.467
tors. eta vs tors. theta energy: -121.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1577.622074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.622074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.622074 (E_RNA)
where:
Base-Base interactions energy: -1115.781
where: short stacking energy: -477.967
Base-Backbone interact. energy: 3.877
local terms energy: -465.718293
where:
bonds (distance) C4'-P energy: -89.124
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -69.537
tors. eta vs tors. theta energy: -119.637
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1423.093157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.093157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.093157 (E_RNA)
where:
Base-Base interactions energy: -978.919
where: short stacking energy: -416.311
Base-Backbone interact. energy: 3.342
local terms energy: -447.515683
where:
bonds (distance) C4'-P energy: -81.380
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -99.590
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -100.203
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1185.065629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.065629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.065629 (E_RNA)
where:
Base-Base interactions energy: -787.806
where: short stacking energy: -337.747
Base-Backbone interact. energy: -0.662
local terms energy: -396.597888
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -99.196
flat angles C4'-P-C4' energy: -92.880
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -69.871
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: 282
Temperature: 1.300000
Total energy: -1080.761413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.761413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.761413 (E_RNA)
where:
Base-Base interactions energy: -726.282
where: short stacking energy: -290.807
Base-Backbone interact. energy: -1.305
local terms energy: -353.174199
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -91.424
flat angles C4'-P-C4' energy: -76.524
flat angles P-C4'-P energy: -46.600
tors. eta vs tors. theta energy: -43.140
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: 282
Temperature: 1.350000
Total energy: -870.725188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.725188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.725188 (E_RNA)
where:
Base-Base interactions energy: -534.123
where: short stacking energy: -249.396
Base-Backbone interact. energy: -3.646
local terms energy: -332.956160
where:
bonds (distance) C4'-P energy: -78.462
bonds (distance) P-C4' energy: -88.310
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -55.789
tors. eta vs tors. theta energy: -32.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1932.018941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.018941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.018941 (E_RNA)
where:
Base-Base interactions energy: -1367.152
where: short stacking energy: -568.550
Base-Backbone interact. energy: -2.781
local terms energy: -562.085908
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -108.867
flat angles C4'-P-C4' energy: -122.252
flat angles P-C4'-P energy: -80.307
tors. eta vs tors. theta energy: -151.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1840.759884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.759884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.759884 (E_RNA)
where:
Base-Base interactions energy: -1290.659
where: short stacking energy: -501.948
Base-Backbone interact. energy: -1.546
local terms energy: -548.554296
where:
bonds (distance) C4'-P energy: -106.285
bonds (distance) P-C4' energy: -109.898
flat angles C4'-P-C4' energy: -123.902
flat angles P-C4'-P energy: -71.033
tors. eta vs tors. theta energy: -137.436
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: 283
Temperature: 1.000000
Total energy: -1779.026053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.026053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.026053 (E_RNA)
where:
Base-Base interactions energy: -1250.115
where: short stacking energy: -532.645
Base-Backbone interact. energy: -2.432
local terms energy: -526.478822
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -93.513
flat angles C4'-P-C4' energy: -127.152
flat angles P-C4'-P energy: -77.958
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: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1698.217357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.217357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.217357 (E_RNA)
where:
Base-Base interactions energy: -1201.364
where: short stacking energy: -498.647
Base-Backbone interact. energy: -1.037
local terms energy: -495.816873
where:
bonds (distance) C4'-P energy: -83.959
bonds (distance) P-C4' energy: -104.349
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -65.397
tors. eta vs tors. theta energy: -129.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1708.687398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.687398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.687398 (E_RNA)
where:
Base-Base interactions energy: -1206.343
where: short stacking energy: -496.326
Base-Backbone interact. energy: -2.022
local terms energy: -500.322505
where:
bonds (distance) C4'-P energy: -94.342
bonds (distance) P-C4' energy: -108.663
flat angles C4'-P-C4' energy: -104.292
flat angles P-C4'-P energy: -62.316
tors. eta vs tors. theta energy: -130.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1599.733565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.733565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.733565 (E_RNA)
where:
Base-Base interactions energy: -1120.598
where: short stacking energy: -477.702
Base-Backbone interact. energy: -1.700
local terms energy: -477.435695
where:
bonds (distance) C4'-P energy: -97.424
bonds (distance) P-C4' energy: -99.889
flat angles C4'-P-C4' energy: -110.570
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -124.952
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: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1422.797303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.797303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.797303 (E_RNA)
where:
Base-Base interactions energy: -975.263
where: short stacking energy: -393.674
Base-Backbone interact. energy: -2.821
local terms energy: -444.713561
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -106.261
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -100.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1125.704350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.704350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.704350 (E_RNA)
where:
Base-Base interactions energy: -729.857
where: short stacking energy: -319.436
Base-Backbone interact. energy: 0.129
local terms energy: -395.976274
where:
bonds (distance) C4'-P energy: -91.875
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -80.645
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -65.774
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: 283
Temperature: 1.300000
Total energy: -1121.408849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.408849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.408849 (E_RNA)
where:
Base-Base interactions energy: -747.670
where: short stacking energy: -281.233
Base-Backbone interact. energy: -2.024
local terms energy: -371.715633
where:
bonds (distance) C4'-P energy: -64.978
bonds (distance) P-C4' energy: -91.835
flat angles C4'-P-C4' energy: -106.297
flat angles P-C4'-P energy: -55.597
tors. eta vs tors. theta energy: -53.009
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -884.309809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.309809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.309809 (E_RNA)
where:
Base-Base interactions energy: -534.075
where: short stacking energy: -236.927
Base-Backbone interact. energy: 4.825
local terms energy: -355.059797
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -85.788
flat angles P-C4'-P energy: -55.625
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1933.331845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.331845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.331845 (E_RNA)
where:
Base-Base interactions energy: -1360.970
where: short stacking energy: -553.355
Base-Backbone interact. energy: -2.736
local terms energy: -569.625565
where:
bonds (distance) C4'-P energy: -116.460
bonds (distance) P-C4' energy: -105.731
flat angles C4'-P-C4' energy: -114.244
flat angles P-C4'-P energy: -78.841
tors. eta vs tors. theta energy: -154.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1860.195746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.195746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.195746 (E_RNA)
where:
Base-Base interactions energy: -1295.840
where: short stacking energy: -549.595
Base-Backbone interact. energy: -3.388
local terms energy: -560.967324
where:
bonds (distance) C4'-P energy: -98.484
bonds (distance) P-C4' energy: -114.748
flat angles C4'-P-C4' energy: -121.405
flat angles P-C4'-P energy: -87.794
tors. eta vs tors. theta energy: -138.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1794.286291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.286291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.286291 (E_RNA)
where:
Base-Base interactions energy: -1238.973
where: short stacking energy: -509.592
Base-Backbone interact. energy: -4.068
local terms energy: -551.245188
where:
bonds (distance) C4'-P energy: -108.262
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -126.256
flat angles P-C4'-P energy: -82.496
tors. eta vs tors. theta energy: -141.680
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: 284
Temperature: 1.050000
Total energy: -1733.390305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.390305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.390305 (E_RNA)
where:
Base-Base interactions energy: -1213.452
where: short stacking energy: -523.784
Base-Backbone interact. energy: -2.618
local terms energy: -517.319605
where:
bonds (distance) C4'-P energy: -89.141
bonds (distance) P-C4' energy: -111.700
flat angles C4'-P-C4' energy: -114.783
flat angles P-C4'-P energy: -76.646
tors. eta vs tors. theta energy: -125.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1699.194688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.194688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.194688 (E_RNA)
where:
Base-Base interactions energy: -1193.597
where: short stacking energy: -488.773
Base-Backbone interact. energy: -1.833
local terms energy: -503.764536
where:
bonds (distance) C4'-P energy: -92.806
bonds (distance) P-C4' energy: -107.872
flat angles C4'-P-C4' energy: -114.826
flat angles P-C4'-P energy: -67.317
tors. eta vs tors. theta energy: -120.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1544.423443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.423443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.423443 (E_RNA)
where:
Base-Base interactions energy: -1092.348
where: short stacking energy: -448.317
Base-Backbone interact. energy: 1.183
local terms energy: -453.258049
where:
bonds (distance) C4'-P energy: -89.208
bonds (distance) P-C4' energy: -93.988
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -106.869
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: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1410.641408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.641408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.641408 (E_RNA)
where:
Base-Base interactions energy: -960.062
where: short stacking energy: -416.429
Base-Backbone interact. energy: -0.016
local terms energy: -450.563024
where:
bonds (distance) C4'-P energy: -91.233
bonds (distance) P-C4' energy: -105.620
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -63.523
tors. eta vs tors. theta energy: -94.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1136.435049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.435049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.435049 (E_RNA)
where:
Base-Base interactions energy: -757.426
where: short stacking energy: -308.475
Base-Backbone interact. energy: -1.030
local terms energy: -377.979964
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -89.963
flat angles C4'-P-C4' energy: -92.838
flat angles P-C4'-P energy: -57.561
tors. eta vs tors. theta energy: -72.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1098.261985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.261985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.261985 (E_RNA)
where:
Base-Base interactions energy: -724.552
where: short stacking energy: -316.853
Base-Backbone interact. energy: 5.209
local terms energy: -378.919216
where:
bonds (distance) C4'-P energy: -91.257
bonds (distance) P-C4' energy: -83.370
flat angles C4'-P-C4' energy: -87.405
flat angles P-C4'-P energy: -55.912
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -898.909776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.909776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.909776 (E_RNA)
where:
Base-Base interactions energy: -538.351
where: short stacking energy: -243.543
Base-Backbone interact. energy: 9.340
local terms energy: -369.899147
where:
bonds (distance) C4'-P energy: -105.619
bonds (distance) P-C4' energy: -100.376
flat angles C4'-P-C4' energy: -77.328
flat angles P-C4'-P energy: -42.537
tors. eta vs tors. theta energy: -44.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1925.598085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.598085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.598085 (E_RNA)
where:
Base-Base interactions energy: -1352.163
where: short stacking energy: -554.730
Base-Backbone interact. energy: -6.435
local terms energy: -567.000205
where:
bonds (distance) C4'-P energy: -108.067
bonds (distance) P-C4' energy: -108.211
flat angles C4'-P-C4' energy: -119.151
flat angles P-C4'-P energy: -84.828
tors. eta vs tors. theta energy: -146.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1865.729669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.729669 (E_RNA)
where:
Base-Base interactions energy: -1296.987
where: short stacking energy: -559.911
Base-Backbone interact. energy: -3.484
local terms energy: -565.258180
where:
bonds (distance) C4'-P energy: -97.881
bonds (distance) P-C4' energy: -104.612
flat angles C4'-P-C4' energy: -123.862
flat angles P-C4'-P energy: -87.179
tors. eta vs tors. theta energy: -151.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1799.577103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.577103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.577103 (E_RNA)
where:
Base-Base interactions energy: -1283.174
where: short stacking energy: -524.103
Base-Backbone interact. energy: -0.338
local terms energy: -516.065007
where:
bonds (distance) C4'-P energy: -88.674
bonds (distance) P-C4' energy: -103.317
flat angles C4'-P-C4' energy: -114.721
flat angles P-C4'-P energy: -73.504
tors. eta vs tors. theta energy: -135.849
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: 285
Temperature: 1.050000
Total energy: -1703.604669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.604669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.604669 (E_RNA)
where:
Base-Base interactions energy: -1191.517
where: short stacking energy: -490.035
Base-Backbone interact. energy: -2.174
local terms energy: -509.913566
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -96.917
flat angles C4'-P-C4' energy: -109.006
flat angles P-C4'-P energy: -76.402
tors. eta vs tors. theta energy: -136.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1685.167542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.167542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.167542 (E_RNA)
where:
Base-Base interactions energy: -1167.112
where: short stacking energy: -486.013
Base-Backbone interact. energy: -1.680
local terms energy: -516.375061
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -97.112
flat angles C4'-P-C4' energy: -118.344
flat angles P-C4'-P energy: -76.556
tors. eta vs tors. theta energy: -119.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1605.893574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.893574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.893574 (E_RNA)
where:
Base-Base interactions energy: -1120.879
where: short stacking energy: -472.615
Base-Backbone interact. energy: -0.525
local terms energy: -484.488832
where:
bonds (distance) C4'-P energy: -91.593
bonds (distance) P-C4' energy: -93.321
flat angles C4'-P-C4' energy: -114.989
flat angles P-C4'-P energy: -61.774
tors. eta vs tors. theta energy: -122.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1405.465298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.465298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.465298 (E_RNA)
where:
Base-Base interactions energy: -962.721
where: short stacking energy: -400.362
Base-Backbone interact. energy: -1.173
local terms energy: -441.570796
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -88.385
flat angles C4'-P-C4' energy: -103.204
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -99.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1206.606588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.606588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.606588 (E_RNA)
where:
Base-Base interactions energy: -807.319
where: short stacking energy: -355.887
Base-Backbone interact. energy: -0.803
local terms energy: -398.485294
where:
bonds (distance) C4'-P energy: -88.333
bonds (distance) P-C4' energy: -97.060
flat angles C4'-P-C4' energy: -93.573
flat angles P-C4'-P energy: -48.063
tors. eta vs tors. theta energy: -71.455
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: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1096.989296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.989296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.989296 (E_RNA)
where:
Base-Base interactions energy: -753.507
where: short stacking energy: -304.292
Base-Backbone interact. energy: -0.840
local terms energy: -342.642709
where:
bonds (distance) C4'-P energy: -80.154
bonds (distance) P-C4' energy: -81.837
flat angles C4'-P-C4' energy: -80.266
flat angles P-C4'-P energy: -52.715
tors. eta vs tors. theta energy: -47.670
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -853.019802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.019802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.019802 (E_RNA)
where:
Base-Base interactions energy: -531.052
where: short stacking energy: -234.145
Base-Backbone interact. energy: 2.501
local terms energy: -324.468952
where:
bonds (distance) C4'-P energy: -70.442
bonds (distance) P-C4' energy: -91.385
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -49.481
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1920.093091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.093091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.093091 (E_RNA)
where:
Base-Base interactions energy: -1330.040
where: short stacking energy: -563.005
Base-Backbone interact. energy: -2.749
local terms energy: -587.303694
where:
bonds (distance) C4'-P energy: -111.127
bonds (distance) P-C4' energy: -104.734
flat angles C4'-P-C4' energy: -122.338
flat angles P-C4'-P energy: -92.622
tors. eta vs tors. theta energy: -156.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1906.657388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.657388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.657388 (E_RNA)
where:
Base-Base interactions energy: -1336.778
where: short stacking energy: -552.519
Base-Backbone interact. energy: -2.746
local terms energy: -567.133374
where:
bonds (distance) C4'-P energy: -98.476
bonds (distance) P-C4' energy: -105.036
flat angles C4'-P-C4' energy: -126.922
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -152.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1812.832891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.832891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.832891 (E_RNA)
where:
Base-Base interactions energy: -1279.580
where: short stacking energy: -531.185
Base-Backbone interact. energy: 0.861
local terms energy: -534.114102
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -100.961
flat angles C4'-P-C4' energy: -113.839
flat angles P-C4'-P energy: -77.213
tors. eta vs tors. theta energy: -151.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1721.098430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.098430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.098430 (E_RNA)
where:
Base-Base interactions energy: -1210.562
where: short stacking energy: -491.244
Base-Backbone interact. energy: -1.000
local terms energy: -509.536997
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -89.149
flat angles C4'-P-C4' energy: -114.595
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -131.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1693.223314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.223314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.223314 (E_RNA)
where:
Base-Base interactions energy: -1176.944
where: short stacking energy: -477.584
Base-Backbone interact. energy: -3.630
local terms energy: -512.649273
where:
bonds (distance) C4'-P energy: -104.790
bonds (distance) P-C4' energy: -95.993
flat angles C4'-P-C4' energy: -117.968
flat angles P-C4'-P energy: -67.179
tors. eta vs tors. theta energy: -126.719
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: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1553.678855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.678855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.678855 (E_RNA)
where:
Base-Base interactions energy: -1095.191
where: short stacking energy: -437.063
Base-Backbone interact. energy: 3.360
local terms energy: -461.848352
where:
bonds (distance) C4'-P energy: -101.661
bonds (distance) P-C4' energy: -94.600
flat angles C4'-P-C4' energy: -104.235
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -106.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1438.702755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.702755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.702755 (E_RNA)
where:
Base-Base interactions energy: -967.995
where: short stacking energy: -418.931
Base-Backbone interact. energy: -3.158
local terms energy: -467.550414
where:
bonds (distance) C4'-P energy: -99.280
bonds (distance) P-C4' energy: -107.300
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -110.073
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1222.560257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.560257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.560257 (E_RNA)
where:
Base-Base interactions energy: -811.489
where: short stacking energy: -346.320
Base-Backbone interact. energy: -1.250
local terms energy: -409.821643
where:
bonds (distance) C4'-P energy: -97.384
bonds (distance) P-C4' energy: -90.225
flat angles C4'-P-C4' energy: -86.905
flat angles P-C4'-P energy: -63.146
tors. eta vs tors. theta energy: -72.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1123.126991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.126991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.126991 (E_RNA)
where:
Base-Base interactions energy: -725.049
where: short stacking energy: -334.078
Base-Backbone interact. energy: -0.433
local terms energy: -397.645023
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -89.191
flat angles C4'-P-C4' energy: -95.213
flat angles P-C4'-P energy: -50.903
tors. eta vs tors. theta energy: -67.000
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: 286
Temperature: 1.350000
Total energy: -850.042392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.042392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.042392 (E_RNA)
where:
Base-Base interactions energy: -510.453
where: short stacking energy: -239.763
Base-Backbone interact. energy: 0.964
local terms energy: -340.553379
where:
bonds (distance) C4'-P energy: -82.830
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -83.094
flat angles P-C4'-P energy: -50.811
tors. eta vs tors. theta energy: -33.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1950.095771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.095771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.095771 (E_RNA)
where:
Base-Base interactions energy: -1383.815
where: short stacking energy: -550.209
Base-Backbone interact. energy: 1.863
local terms energy: -568.143446
where:
bonds (distance) C4'-P energy: -108.968
bonds (distance) P-C4' energy: -113.521
flat angles C4'-P-C4' energy: -122.760
flat angles P-C4'-P energy: -73.456
tors. eta vs tors. theta energy: -149.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1900.073521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.073521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.073521 (E_RNA)
where:
Base-Base interactions energy: -1322.762
where: short stacking energy: -544.862
Base-Backbone interact. energy: -1.987
local terms energy: -575.325424
where:
bonds (distance) C4'-P energy: -108.391
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -90.721
tors. eta vs tors. theta energy: -148.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1777.804438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.804438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.804438 (E_RNA)
where:
Base-Base interactions energy: -1250.015
where: short stacking energy: -519.629
Base-Backbone interact. energy: 0.477
local terms energy: -528.266536
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -103.854
flat angles C4'-P-C4' energy: -121.791
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -142.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1716.299454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.299454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.299454 (E_RNA)
where:
Base-Base interactions energy: -1211.043
where: short stacking energy: -503.203
Base-Backbone interact. energy: -2.248
local terms energy: -503.008073
where:
bonds (distance) C4'-P energy: -89.401
bonds (distance) P-C4' energy: -100.371
flat angles C4'-P-C4' energy: -107.439
flat angles P-C4'-P energy: -73.949
tors. eta vs tors. theta energy: -131.848
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: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1643.776309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.776309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.776309 (E_RNA)
where:
Base-Base interactions energy: -1171.902
where: short stacking energy: -476.320
Base-Backbone interact. energy: -1.774
local terms energy: -470.100029
where:
bonds (distance) C4'-P energy: -82.744
bonds (distance) P-C4' energy: -88.571
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: -129.947
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1496.251175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.251175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.251175 (E_RNA)
where:
Base-Base interactions energy: -1010.005
where: short stacking energy: -457.522
Base-Backbone interact. energy: 2.204
local terms energy: -488.450547
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -99.865
flat angles C4'-P-C4' energy: -118.362
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: -108.753
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: 287
Temperature: 1.200000
Total energy: -1503.339108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.339108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.339108 (E_RNA)
where:
Base-Base interactions energy: -1028.186
where: short stacking energy: -424.204
Base-Backbone interact. energy: 0.299
local terms energy: -475.451515
where:
bonds (distance) C4'-P energy: -115.341
bonds (distance) P-C4' energy: -94.681
flat angles C4'-P-C4' energy: -99.422
flat angles P-C4'-P energy: -65.119
tors. eta vs tors. theta energy: -100.887
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: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1189.417238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.417238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.417238 (E_RNA)
where:
Base-Base interactions energy: -802.225
where: short stacking energy: -350.490
Base-Backbone interact. energy: -1.355
local terms energy: -385.837627
where:
bonds (distance) C4'-P energy: -89.719
bonds (distance) P-C4' energy: -96.512
flat angles C4'-P-C4' energy: -79.215
flat angles P-C4'-P energy: -56.735
tors. eta vs tors. theta energy: -63.656
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: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1169.952047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.952047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.952047 (E_RNA)
where:
Base-Base interactions energy: -750.009
where: short stacking energy: -329.045
Base-Backbone interact. energy: -2.424
local terms energy: -417.519086
where:
bonds (distance) C4'-P energy: -92.359
bonds (distance) P-C4' energy: -84.277
flat angles C4'-P-C4' energy: -92.300
flat angles P-C4'-P energy: -63.635
tors. eta vs tors. theta energy: -84.949
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: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -816.791545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.791545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.791545 (E_RNA)
where:
Base-Base interactions energy: -466.898
where: short stacking energy: -219.642
Base-Backbone interact. energy: -0.857
local terms energy: -349.036183
where:
bonds (distance) C4'-P energy: -93.564
bonds (distance) P-C4' energy: -87.354
flat angles C4'-P-C4' energy: -87.861
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -17.540
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: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1930.419163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.419163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.419163 (E_RNA)
where:
Base-Base interactions energy: -1359.773
where: short stacking energy: -545.354
Base-Backbone interact. energy: -2.934
local terms energy: -567.712466
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -119.427
flat angles P-C4'-P energy: -80.533
tors. eta vs tors. theta energy: -142.913
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1856.122152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.122152 (E_RNA)
where:
Base-Base interactions energy: -1312.345
where: short stacking energy: -526.559
Base-Backbone interact. energy: 1.218
local terms energy: -544.995722
where:
bonds (distance) C4'-P energy: -110.422
bonds (distance) P-C4' energy: -96.823
flat angles C4'-P-C4' energy: -126.478
flat angles P-C4'-P energy: -66.136
tors. eta vs tors. theta energy: -145.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1758.763559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.763559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.763559 (E_RNA)
where:
Base-Base interactions energy: -1198.550
where: short stacking energy: -518.417
Base-Backbone interact. energy: -4.446
local terms energy: -555.767319
where:
bonds (distance) C4'-P energy: -95.335
bonds (distance) P-C4' energy: -102.918
flat angles C4'-P-C4' energy: -118.747
flat angles P-C4'-P energy: -90.472
tors. eta vs tors. theta energy: -148.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1690.147148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.147148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.147148 (E_RNA)
where:
Base-Base interactions energy: -1177.466
where: short stacking energy: -477.098
Base-Backbone interact. energy: 1.072
local terms energy: -513.752340
where:
bonds (distance) C4'-P energy: -99.619
bonds (distance) P-C4' energy: -103.004
flat angles C4'-P-C4' energy: -117.182
flat angles P-C4'-P energy: -71.596
tors. eta vs tors. theta energy: -122.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1673.366474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.366474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.366474 (E_RNA)
where:
Base-Base interactions energy: -1176.977
where: short stacking energy: -485.530
Base-Backbone interact. energy: 1.726
local terms energy: -498.115437
where:
bonds (distance) C4'-P energy: -99.065
bonds (distance) P-C4' energy: -90.999
flat angles C4'-P-C4' energy: -106.880
flat angles P-C4'-P energy: -70.623
tors. eta vs tors. theta energy: -130.548
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: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1486.941967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.941967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.941967 (E_RNA)
where:
Base-Base interactions energy: -1030.439
where: short stacking energy: -468.634
Base-Backbone interact. energy: 0.437
local terms energy: -456.940103
where:
bonds (distance) C4'-P energy: -81.176
bonds (distance) P-C4' energy: -89.661
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -112.814
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: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1512.871638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.871638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.871638 (E_RNA)
where:
Base-Base interactions energy: -1044.497
where: short stacking energy: -428.103
Base-Backbone interact. energy: -1.495
local terms energy: -466.880145
where:
bonds (distance) C4'-P energy: -92.061
bonds (distance) P-C4' energy: -93.254
flat angles C4'-P-C4' energy: -97.063
flat angles P-C4'-P energy: -74.412
tors. eta vs tors. theta energy: -110.091
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: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1180.221803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.221803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.221803 (E_RNA)
where:
Base-Base interactions energy: -793.863
where: short stacking energy: -336.907
Base-Backbone interact. energy: 5.578
local terms energy: -391.936252
where:
bonds (distance) C4'-P energy: -83.731
bonds (distance) P-C4' energy: -102.297
flat angles C4'-P-C4' energy: -93.669
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: -55.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1162.632077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.632077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.632077 (E_RNA)
where:
Base-Base interactions energy: -759.176
where: short stacking energy: -348.398
Base-Backbone interact. energy: 1.035
local terms energy: -404.490905
where:
bonds (distance) C4'-P energy: -101.033
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -91.439
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: 288
Temperature: 1.350000
Total energy: -852.097905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.097905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.097905 (E_RNA)
where:
Base-Base interactions energy: -539.167
where: short stacking energy: -257.507
Base-Backbone interact. energy: 0.192
local terms energy: -313.123128
where:
bonds (distance) C4'-P energy: -60.738
bonds (distance) P-C4' energy: -62.715
flat angles C4'-P-C4' energy: -92.245
flat angles P-C4'-P energy: -65.232
tors. eta vs tors. theta energy: -32.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1933.747978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.747978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.747978 (E_RNA)
where:
Base-Base interactions energy: -1371.177
where: short stacking energy: -550.002
Base-Backbone interact. energy: -3.951
local terms energy: -558.620634
where:
bonds (distance) C4'-P energy: -107.752
bonds (distance) P-C4' energy: -100.292
flat angles C4'-P-C4' energy: -116.333
flat angles P-C4'-P energy: -78.450
tors. eta vs tors. theta energy: -155.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1864.838852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.838852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.838852 (E_RNA)
where:
Base-Base interactions energy: -1299.364
where: short stacking energy: -537.045
Base-Backbone interact. energy: -5.830
local terms energy: -559.644693
where:
bonds (distance) C4'-P energy: -95.953
bonds (distance) P-C4' energy: -116.017
flat angles C4'-P-C4' energy: -118.463
flat angles P-C4'-P energy: -84.617
tors. eta vs tors. theta energy: -144.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1805.693813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.693813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.693813 (E_RNA)
where:
Base-Base interactions energy: -1242.694
where: short stacking energy: -516.312
Base-Backbone interact. energy: -2.502
local terms energy: -560.497867
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -129.345
flat angles P-C4'-P energy: -85.205
tors. eta vs tors. theta energy: -138.372
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1712.584387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.584387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.584387 (E_RNA)
where:
Base-Base interactions energy: -1221.483
where: short stacking energy: -506.635
Base-Backbone interact. energy: -2.625
local terms energy: -488.476231
where:
bonds (distance) C4'-P energy: -69.884
bonds (distance) P-C4' energy: -86.943
flat angles C4'-P-C4' energy: -118.466
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -133.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1630.629343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.629343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.629343 (E_RNA)
where:
Base-Base interactions energy: -1156.066
where: short stacking energy: -483.100
Base-Backbone interact. energy: -2.324
local terms energy: -472.239919
where:
bonds (distance) C4'-P energy: -88.374
bonds (distance) P-C4' energy: -88.141
flat angles C4'-P-C4' energy: -107.909
flat angles P-C4'-P energy: -61.260
tors. eta vs tors. theta energy: -126.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1513.186635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.186635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.186635 (E_RNA)
where:
Base-Base interactions energy: -1048.414
where: short stacking energy: -459.842
Base-Backbone interact. energy: -3.706
local terms energy: -461.066375
where:
bonds (distance) C4'-P energy: -75.560
bonds (distance) P-C4' energy: -75.424
flat angles C4'-P-C4' energy: -98.227
flat angles P-C4'-P energy: -81.592
tors. eta vs tors. theta energy: -130.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1508.621838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.621838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.621838 (E_RNA)
where:
Base-Base interactions energy: -1052.934
where: short stacking energy: -440.891
Base-Backbone interact. energy: -1.758
local terms energy: -453.929747
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -94.962
flat angles C4'-P-C4' energy: -96.217
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -109.969
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: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1210.816770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.816770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.816770 (E_RNA)
where:
Base-Base interactions energy: -796.429
where: short stacking energy: -359.807
Base-Backbone interact. energy: -1.499
local terms energy: -412.888872
where:
bonds (distance) C4'-P energy: -79.068
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -86.058
flat angles P-C4'-P energy: -67.748
tors. eta vs tors. theta energy: -82.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1122.737501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.737501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.737501 (E_RNA)
where:
Base-Base interactions energy: -753.840
where: short stacking energy: -314.110
Base-Backbone interact. energy: 0.174
local terms energy: -369.072020
where:
bonds (distance) C4'-P energy: -66.517
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -90.638
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -56.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -890.479287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.479287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.479287 (E_RNA)
where:
Base-Base interactions energy: -541.572
where: short stacking energy: -263.531
Base-Backbone interact. energy: 0.024
local terms energy: -348.931816
where:
bonds (distance) C4'-P energy: -92.128
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -37.015
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: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1960.596201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.596201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.596201 (E_RNA)
where:
Base-Base interactions energy: -1390.880
where: short stacking energy: -561.295
Base-Backbone interact. energy: -1.349
local terms energy: -568.367024
where:
bonds (distance) C4'-P energy: -98.957
bonds (distance) P-C4' energy: -107.248
flat angles C4'-P-C4' energy: -120.886
flat angles P-C4'-P energy: -88.464
tors. eta vs tors. theta energy: -152.812
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: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1873.630911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.630911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.630911 (E_RNA)
where:
Base-Base interactions energy: -1328.678
where: short stacking energy: -538.485
Base-Backbone interact. energy: -1.190
local terms energy: -543.762660
where:
bonds (distance) C4'-P energy: -94.487
bonds (distance) P-C4' energy: -107.950
flat angles C4'-P-C4' energy: -120.924
flat angles P-C4'-P energy: -78.981
tors. eta vs tors. theta energy: -141.421
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1807.399267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.399267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.399267 (E_RNA)
where:
Base-Base interactions energy: -1255.137
where: short stacking energy: -542.345
Base-Backbone interact. energy: -2.433
local terms energy: -549.829112
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -98.903
flat angles C4'-P-C4' energy: -119.225
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -149.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1755.272789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.272789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.272789 (E_RNA)
where:
Base-Base interactions energy: -1224.716
where: short stacking energy: -496.190
Base-Backbone interact. energy: 0.117
local terms energy: -530.673731
where:
bonds (distance) C4'-P energy: -92.411
bonds (distance) P-C4' energy: -99.288
flat angles C4'-P-C4' energy: -124.474
flat angles P-C4'-P energy: -83.658
tors. eta vs tors. theta energy: -130.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1654.684795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.684795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.684795 (E_RNA)
where:
Base-Base interactions energy: -1157.649
where: short stacking energy: -475.019
Base-Backbone interact. energy: -1.747
local terms energy: -495.288408
where:
bonds (distance) C4'-P energy: -86.458
bonds (distance) P-C4' energy: -94.797
flat angles C4'-P-C4' energy: -108.149
flat angles P-C4'-P energy: -74.372
tors. eta vs tors. theta energy: -131.513
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: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1504.203603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.203603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.203603 (E_RNA)
where:
Base-Base interactions energy: -1025.010
where: short stacking energy: -439.093
Base-Backbone interact. energy: 0.666
local terms energy: -479.859232
where:
bonds (distance) C4'-P energy: -94.931
bonds (distance) P-C4' energy: -91.124
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -111.608
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: 290
Temperature: 1.200000
Total energy: -1499.332458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.332458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.332458 (E_RNA)
where:
Base-Base interactions energy: -1020.288
where: short stacking energy: -425.252
Base-Backbone interact. energy: -1.697
local terms energy: -477.347069
where:
bonds (distance) C4'-P energy: -90.115
bonds (distance) P-C4' energy: -103.749
flat angles C4'-P-C4' energy: -108.583
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -101.190
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: 290
Temperature: 1.250000
Total energy: -1198.506433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.506433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.506433 (E_RNA)
where:
Base-Base interactions energy: -793.935
where: short stacking energy: -364.235
Base-Backbone interact. energy: -0.972
local terms energy: -403.599847
where:
bonds (distance) C4'-P energy: -83.324
bonds (distance) P-C4' energy: -93.418
flat angles C4'-P-C4' energy: -86.293
flat angles P-C4'-P energy: -66.449
tors. eta vs tors. theta energy: -74.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1112.131859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.131859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.131859 (E_RNA)
where:
Base-Base interactions energy: -762.068
where: short stacking energy: -356.437
Base-Backbone interact. energy: 1.923
local terms energy: -351.986196
where:
bonds (distance) C4'-P energy: -79.122
bonds (distance) P-C4' energy: -66.213
flat angles C4'-P-C4' energy: -78.026
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -75.320
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: 290
Temperature: 1.350000
Total energy: -838.654918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.654918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.654918 (E_RNA)
where:
Base-Base interactions energy: -501.647
where: short stacking energy: -227.297
Base-Backbone interact. energy: -0.081
local terms energy: -336.927546
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -98.456
flat angles C4'-P-C4' energy: -79.031
flat angles P-C4'-P energy: -58.665
tors. eta vs tors. theta energy: -23.748
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1938.768197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.768197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.768197 (E_RNA)
where:
Base-Base interactions energy: -1366.130
where: short stacking energy: -569.536
Base-Backbone interact. energy: -5.171
local terms energy: -567.467100
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -97.809
flat angles C4'-P-C4' energy: -117.752
flat angles P-C4'-P energy: -94.590
tors. eta vs tors. theta energy: -159.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1852.421247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.421247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.421247 (E_RNA)
where:
Base-Base interactions energy: -1294.557
where: short stacking energy: -547.695
Base-Backbone interact. energy: 4.217
local terms energy: -562.081039
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -106.575
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -89.482
tors. eta vs tors. theta energy: -147.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1815.933012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.933012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.933012 (E_RNA)
where:
Base-Base interactions energy: -1269.298
where: short stacking energy: -537.000
Base-Backbone interact. energy: -1.381
local terms energy: -545.253722
where:
bonds (distance) C4'-P energy: -94.002
bonds (distance) P-C4' energy: -100.922
flat angles C4'-P-C4' energy: -118.642
flat angles P-C4'-P energy: -79.260
tors. eta vs tors. theta energy: -152.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1756.566608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.566608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.566608 (E_RNA)
where:
Base-Base interactions energy: -1224.868
where: short stacking energy: -491.852
Base-Backbone interact. energy: 4.046
local terms energy: -535.744136
where:
bonds (distance) C4'-P energy: -106.552
bonds (distance) P-C4' energy: -110.730
flat angles C4'-P-C4' energy: -120.045
flat angles P-C4'-P energy: -71.636
tors. eta vs tors. theta energy: -126.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1604.951839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.951839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.951839 (E_RNA)
where:
Base-Base interactions energy: -1122.998
where: short stacking energy: -465.541
Base-Backbone interact. energy: -3.792
local terms energy: -478.161852
where:
bonds (distance) C4'-P energy: -81.273
bonds (distance) P-C4' energy: -92.560
flat angles C4'-P-C4' energy: -113.125
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -117.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1486.453900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.453900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.453900 (E_RNA)
where:
Base-Base interactions energy: -1017.817
where: short stacking energy: -426.614
Base-Backbone interact. energy: -2.363
local terms energy: -466.273860
where:
bonds (distance) C4'-P energy: -96.964
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -108.506
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -106.269
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1460.211059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.211059 (E_RNA)
where:
Base-Base interactions energy: -1007.555
where: short stacking energy: -443.140
Base-Backbone interact. energy: -1.049
local terms energy: -451.607428
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -75.826
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -110.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1179.512241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.512241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.512241 (E_RNA)
where:
Base-Base interactions energy: -752.565
where: short stacking energy: -362.228
Base-Backbone interact. energy: -1.750
local terms energy: -425.197509
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -64.448
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1146.724374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.724374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.724374 (E_RNA)
where:
Base-Base interactions energy: -764.995
where: short stacking energy: -310.411
Base-Backbone interact. energy: 0.493
local terms energy: -382.222346
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -61.775
tors. eta vs tors. theta energy: -59.766
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: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -860.530183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.530183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.530183 (E_RNA)
where:
Base-Base interactions energy: -518.759
where: short stacking energy: -248.055
Base-Backbone interact. energy: 0.250
local terms energy: -342.020759
where:
bonds (distance) C4'-P energy: -75.458
bonds (distance) P-C4' energy: -86.830
flat angles C4'-P-C4' energy: -91.440
flat angles P-C4'-P energy: -61.388
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1883.955472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.955472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.955472 (E_RNA)
where:
Base-Base interactions energy: -1320.229
where: short stacking energy: -537.902
Base-Backbone interact. energy: -4.204
local terms energy: -559.522535
where:
bonds (distance) C4'-P energy: -99.825
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -118.926
flat angles P-C4'-P energy: -84.392
tors. eta vs tors. theta energy: -148.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1909.109185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.109185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.109185 (E_RNA)
where:
Base-Base interactions energy: -1356.065
where: short stacking energy: -566.819
Base-Backbone interact. energy: -1.284
local terms energy: -551.760044
where:
bonds (distance) C4'-P energy: -97.577
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -113.274
flat angles P-C4'-P energy: -94.774
tors. eta vs tors. theta energy: -147.210
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: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1817.277889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.277889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.277889 (E_RNA)
where:
Base-Base interactions energy: -1281.514
where: short stacking energy: -537.982
Base-Backbone interact. energy: -2.384
local terms energy: -533.379939
where:
bonds (distance) C4'-P energy: -87.242
bonds (distance) P-C4' energy: -99.207
flat angles C4'-P-C4' energy: -113.037
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -149.298
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: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1727.355240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.355240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.355240 (E_RNA)
where:
Base-Base interactions energy: -1221.177
where: short stacking energy: -480.375
Base-Backbone interact. energy: -1.103
local terms energy: -505.075488
where:
bonds (distance) C4'-P energy: -96.601
bonds (distance) P-C4' energy: -102.746
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -129.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1623.896952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.896952 (E_RNA)
where:
Base-Base interactions energy: -1120.175
where: short stacking energy: -457.694
Base-Backbone interact. energy: 0.094
local terms energy: -503.815961
where:
bonds (distance) C4'-P energy: -90.221
bonds (distance) P-C4' energy: -96.324
flat angles C4'-P-C4' energy: -107.463
flat angles P-C4'-P energy: -85.111
tors. eta vs tors. theta energy: -124.698
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: 292
Temperature: 1.150000
Total energy: -1474.574383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.574383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.574383 (E_RNA)
where:
Base-Base interactions energy: -1021.465
where: short stacking energy: -426.849
Base-Backbone interact. energy: -2.160
local terms energy: -450.949541
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -92.232
flat angles C4'-P-C4' energy: -94.539
flat angles P-C4'-P energy: -63.963
tors. eta vs tors. theta energy: -101.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1419.146790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.146790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.146790 (E_RNA)
where:
Base-Base interactions energy: -981.851
where: short stacking energy: -412.159
Base-Backbone interact. energy: 3.242
local terms energy: -440.537790
where:
bonds (distance) C4'-P energy: -91.682
bonds (distance) P-C4' energy: -85.936
flat angles C4'-P-C4' energy: -98.172
flat angles P-C4'-P energy: -71.549
tors. eta vs tors. theta energy: -93.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1200.935831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.935831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.935831 (E_RNA)
where:
Base-Base interactions energy: -802.612
where: short stacking energy: -348.190
Base-Backbone interact. energy: -1.106
local terms energy: -397.217784
where:
bonds (distance) C4'-P energy: -74.559
bonds (distance) P-C4' energy: -79.182
flat angles C4'-P-C4' energy: -94.342
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -82.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1102.574518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.574518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.574518 (E_RNA)
where:
Base-Base interactions energy: -744.128
where: short stacking energy: -323.184
Base-Backbone interact. energy: 1.082
local terms energy: -359.528182
where:
bonds (distance) C4'-P energy: -71.782
bonds (distance) P-C4' energy: -85.170
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -59.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -814.731547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.731547 (E_RNA)
where:
Base-Base interactions energy: -521.693
where: short stacking energy: -229.475
Base-Backbone interact. energy: -1.279
local terms energy: -291.759835
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -83.952
flat angles C4'-P-C4' energy: -90.108
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -21.217
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: 293
Temperature: 0.900000
Total energy: -1904.856296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.856296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.856296 (E_RNA)
where:
Base-Base interactions energy: -1331.241
where: short stacking energy: -560.579
Base-Backbone interact. energy: -1.131
local terms energy: -572.484768
where:
bonds (distance) C4'-P energy: -115.741
bonds (distance) P-C4' energy: -102.702
flat angles C4'-P-C4' energy: -127.629
flat angles P-C4'-P energy: -74.279
tors. eta vs tors. theta energy: -152.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1833.330540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.330540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.330540 (E_RNA)
where:
Base-Base interactions energy: -1297.540
where: short stacking energy: -522.125
Base-Backbone interact. energy: -1.135
local terms energy: -534.655425
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -105.224
flat angles C4'-P-C4' energy: -111.035
flat angles P-C4'-P energy: -77.662
tors. eta vs tors. theta energy: -141.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1826.102620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.102620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.102620 (E_RNA)
where:
Base-Base interactions energy: -1302.791
where: short stacking energy: -535.055
Base-Backbone interact. energy: -2.054
local terms energy: -521.257250
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -106.671
flat angles C4'-P-C4' energy: -109.009
flat angles P-C4'-P energy: -64.475
tors. eta vs tors. theta energy: -142.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1754.687733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.687733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.687733 (E_RNA)
where:
Base-Base interactions energy: -1240.995
where: short stacking energy: -508.178
Base-Backbone interact. energy: 0.581
local terms energy: -514.274044
where:
bonds (distance) C4'-P energy: -99.412
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -113.877
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -136.489
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: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1640.965280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.965280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.965280 (E_RNA)
where:
Base-Base interactions energy: -1120.752
where: short stacking energy: -489.629
Base-Backbone interact. energy: -1.612
local terms energy: -518.601615
where:
bonds (distance) C4'-P energy: -102.180
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -111.278
flat angles P-C4'-P energy: -81.259
tors. eta vs tors. theta energy: -122.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1570.685202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.685202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.685202 (E_RNA)
where:
Base-Base interactions energy: -1085.222
where: short stacking energy: -453.497
Base-Backbone interact. energy: 0.291
local terms energy: -485.754077
where:
bonds (distance) C4'-P energy: -98.090
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -116.598
flat angles P-C4'-P energy: -63.645
tors. eta vs tors. theta energy: -112.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1403.024159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.024159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.024159 (E_RNA)
where:
Base-Base interactions energy: -982.254
where: short stacking energy: -424.472
Base-Backbone interact. energy: -0.777
local terms energy: -419.992575
where:
bonds (distance) C4'-P energy: -71.334
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -101.852
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: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1224.266570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.266570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.266570 (E_RNA)
where:
Base-Base interactions energy: -804.040
where: short stacking energy: -347.590
Base-Backbone interact. energy: -1.193
local terms energy: -419.033330
where:
bonds (distance) C4'-P energy: -93.698
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -98.956
flat angles P-C4'-P energy: -60.353
tors. eta vs tors. theta energy: -69.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1088.893890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.893890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.893890 (E_RNA)
where:
Base-Base interactions energy: -741.604
where: short stacking energy: -334.338
Base-Backbone interact. energy: 0.328
local terms energy: -347.617713
where:
bonds (distance) C4'-P energy: -86.728
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -87.168
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -56.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -822.002991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.002991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.002991 (E_RNA)
where:
Base-Base interactions energy: -512.168
where: short stacking energy: -253.717
Base-Backbone interact. energy: 2.214
local terms energy: -312.049021
where:
bonds (distance) C4'-P energy: -73.410
bonds (distance) P-C4' energy: -79.741
flat angles C4'-P-C4' energy: -97.033
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1899.938507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.938507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.938507 (E_RNA)
where:
Base-Base interactions energy: -1338.946
where: short stacking energy: -554.997
Base-Backbone interact. energy: -1.209
local terms energy: -559.783449
where:
bonds (distance) C4'-P energy: -105.941
bonds (distance) P-C4' energy: -115.531
flat angles C4'-P-C4' energy: -115.815
flat angles P-C4'-P energy: -76.454
tors. eta vs tors. theta energy: -146.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1800.966828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.966828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.966828 (E_RNA)
where:
Base-Base interactions energy: -1272.159
where: short stacking energy: -528.310
Base-Backbone interact. energy: 2.337
local terms energy: -531.144815
where:
bonds (distance) C4'-P energy: -94.902
bonds (distance) P-C4' energy: -94.144
flat angles C4'-P-C4' energy: -120.873
flat angles P-C4'-P energy: -81.522
tors. eta vs tors. theta energy: -139.704
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: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1876.919944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.919944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.919944 (E_RNA)
where:
Base-Base interactions energy: -1310.965
where: short stacking energy: -539.430
Base-Backbone interact. energy: -2.600
local terms energy: -563.355399
where:
bonds (distance) C4'-P energy: -91.204
bonds (distance) P-C4' energy: -125.014
flat angles C4'-P-C4' energy: -121.501
flat angles P-C4'-P energy: -74.991
tors. eta vs tors. theta energy: -150.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1731.134303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.134303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.134303 (E_RNA)
where:
Base-Base interactions energy: -1199.615
where: short stacking energy: -484.825
Base-Backbone interact. energy: -3.948
local terms energy: -527.570786
where:
bonds (distance) C4'-P energy: -105.660
bonds (distance) P-C4' energy: -98.137
flat angles C4'-P-C4' energy: -112.407
flat angles P-C4'-P energy: -74.131
tors. eta vs tors. theta energy: -137.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1628.007656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.007656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.007656 (E_RNA)
where:
Base-Base interactions energy: -1139.065
where: short stacking energy: -466.072
Base-Backbone interact. energy: 0.190
local terms energy: -489.132303
where:
bonds (distance) C4'-P energy: -94.198
bonds (distance) P-C4' energy: -103.796
flat angles C4'-P-C4' energy: -103.506
flat angles P-C4'-P energy: -61.550
tors. eta vs tors. theta energy: -126.083
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: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1565.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.902366 (E_RNA)
where:
Base-Base interactions energy: -1104.284
where: short stacking energy: -445.174
Base-Backbone interact. energy: -2.454
local terms energy: -459.163423
where:
bonds (distance) C4'-P energy: -80.219
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -110.300
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: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1372.423070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.423070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.423070 (E_RNA)
where:
Base-Base interactions energy: -939.474
where: short stacking energy: -399.260
Base-Backbone interact. energy: -3.364
local terms energy: -429.584532
where:
bonds (distance) C4'-P energy: -79.672
bonds (distance) P-C4' energy: -107.345
flat angles C4'-P-C4' energy: -84.628
flat angles P-C4'-P energy: -65.458
tors. eta vs tors. theta energy: -92.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1196.026210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.026210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.026210 (E_RNA)
where:
Base-Base interactions energy: -805.720
where: short stacking energy: -374.960
Base-Backbone interact. energy: -0.765
local terms energy: -389.540754
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -99.205
flat angles P-C4'-P energy: -67.772
tors. eta vs tors. theta energy: -76.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1158.832290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.832290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.832290 (E_RNA)
where:
Base-Base interactions energy: -780.084
where: short stacking energy: -333.588
Base-Backbone interact. energy: 0.726
local terms energy: -379.474434
where:
bonds (distance) C4'-P energy: -75.033
bonds (distance) P-C4' energy: -101.552
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -51.291
tors. eta vs tors. theta energy: -62.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -833.127614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.127614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.127614 (E_RNA)
where:
Base-Base interactions energy: -493.114
where: short stacking energy: -230.382
Base-Backbone interact. energy: -1.538
local terms energy: -338.475686
where:
bonds (distance) C4'-P energy: -88.076
bonds (distance) P-C4' energy: -78.509
flat angles C4'-P-C4' energy: -96.546
flat angles P-C4'-P energy: -56.008
tors. eta vs tors. theta energy: -19.337
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: 295
Temperature: 0.900000
Total energy: -1881.675659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.675659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.675659 (E_RNA)
where:
Base-Base interactions energy: -1326.205
where: short stacking energy: -545.871
Base-Backbone interact. energy: -4.224
local terms energy: -551.246799
where:
bonds (distance) C4'-P energy: -99.238
bonds (distance) P-C4' energy: -103.555
flat angles C4'-P-C4' energy: -120.764
flat angles P-C4'-P energy: -79.648
tors. eta vs tors. theta energy: -148.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1876.267834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.267834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.267834 (E_RNA)
where:
Base-Base interactions energy: -1318.360
where: short stacking energy: -539.904
Base-Backbone interact. energy: -3.088
local terms energy: -554.819769
where:
bonds (distance) C4'-P energy: -95.169
bonds (distance) P-C4' energy: -105.345
flat angles C4'-P-C4' energy: -115.847
flat angles P-C4'-P energy: -89.126
tors. eta vs tors. theta energy: -149.333
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1800.046216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.046216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.046216 (E_RNA)
where:
Base-Base interactions energy: -1271.726
where: short stacking energy: -533.871
Base-Backbone interact. energy: -1.217
local terms energy: -527.103535
where:
bonds (distance) C4'-P energy: -107.160
bonds (distance) P-C4' energy: -95.919
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -74.172
tors. eta vs tors. theta energy: -140.274
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1743.551369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.551369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.551369 (E_RNA)
where:
Base-Base interactions energy: -1221.818
where: short stacking energy: -498.875
Base-Backbone interact. energy: 1.911
local terms energy: -523.644293
where:
bonds (distance) C4'-P energy: -93.514
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -112.955
flat angles P-C4'-P energy: -72.920
tors. eta vs tors. theta energy: -143.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1668.449117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.449117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.449117 (E_RNA)
where:
Base-Base interactions energy: -1166.819
where: short stacking energy: -501.760
Base-Backbone interact. energy: -3.384
local terms energy: -498.245932
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -85.499
flat angles C4'-P-C4' energy: -116.247
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -132.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1647.886049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.886049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.886049 (E_RNA)
where:
Base-Base interactions energy: -1163.088
where: short stacking energy: -502.778
Base-Backbone interact. energy: -0.424
local terms energy: -484.374335
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -81.508
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -141.107
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: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1340.005253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.005253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.005253 (E_RNA)
where:
Base-Base interactions energy: -912.190
where: short stacking energy: -378.052
Base-Backbone interact. energy: -2.388
local terms energy: -425.427975
where:
bonds (distance) C4'-P energy: -82.149
bonds (distance) P-C4' energy: -86.382
flat angles C4'-P-C4' energy: -105.236
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -80.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1256.904450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.904450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.904450 (E_RNA)
where:
Base-Base interactions energy: -847.838
where: short stacking energy: -382.986
Base-Backbone interact. energy: -3.543
local terms energy: -405.523391
where:
bonds (distance) C4'-P energy: -85.526
bonds (distance) P-C4' energy: -84.733
flat angles C4'-P-C4' energy: -92.193
flat angles P-C4'-P energy: -50.128
tors. eta vs tors. theta energy: -92.943
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: 295
Temperature: 1.300000
Total energy: -1109.633886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.633886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.633886 (E_RNA)
where:
Base-Base interactions energy: -725.319
where: short stacking energy: -311.344
Base-Backbone interact. energy: -1.927
local terms energy: -382.387280
where:
bonds (distance) C4'-P energy: -90.973
bonds (distance) P-C4' energy: -81.301
flat angles C4'-P-C4' energy: -93.389
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -56.556
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: 295
Temperature: 1.350000
Total energy: -831.138232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.138232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.138232 (E_RNA)
where:
Base-Base interactions energy: -493.050
where: short stacking energy: -262.625
Base-Backbone interact. energy: 0.453
local terms energy: -338.540698
where:
bonds (distance) C4'-P energy: -89.171
bonds (distance) P-C4' energy: -87.708
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -39.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1942.190397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.190397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.190397 (E_RNA)
where:
Base-Base interactions energy: -1355.252
where: short stacking energy: -560.999
Base-Backbone interact. energy: -3.572
local terms energy: -583.366338
where:
bonds (distance) C4'-P energy: -110.044
bonds (distance) P-C4' energy: -102.144
flat angles C4'-P-C4' energy: -129.769
flat angles P-C4'-P energy: -88.690
tors. eta vs tors. theta energy: -152.720
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: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1863.006824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.006824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.006824 (E_RNA)
where:
Base-Base interactions energy: -1301.403
where: short stacking energy: -545.092
Base-Backbone interact. energy: 0.533
local terms energy: -562.136317
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -110.929
flat angles C4'-P-C4' energy: -113.791
flat angles P-C4'-P energy: -78.639
tors. eta vs tors. theta energy: -146.740
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: 296
Temperature: 1.000000
Total energy: -1788.372460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.372460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.372460 (E_RNA)
where:
Base-Base interactions energy: -1275.322
where: short stacking energy: -529.006
Base-Backbone interact. energy: -2.746
local terms energy: -510.304779
where:
bonds (distance) C4'-P energy: -84.584
bonds (distance) P-C4' energy: -99.806
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: -142.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1717.404962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.404962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.404962 (E_RNA)
where:
Base-Base interactions energy: -1211.968
where: short stacking energy: -512.187
Base-Backbone interact. energy: 5.443
local terms energy: -510.880386
where:
bonds (distance) C4'-P energy: -94.643
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -108.059
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -137.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1638.059953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.059953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.059953 (E_RNA)
where:
Base-Base interactions energy: -1109.486
where: short stacking energy: -468.072
Base-Backbone interact. energy: -1.016
local terms energy: -527.558625
where:
bonds (distance) C4'-P energy: -86.445
bonds (distance) P-C4' energy: -104.955
flat angles C4'-P-C4' energy: -124.746
flat angles P-C4'-P energy: -84.308
tors. eta vs tors. theta energy: -127.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1585.025842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.025842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.025842 (E_RNA)
where:
Base-Base interactions energy: -1114.854
where: short stacking energy: -443.825
Base-Backbone interact. energy: -0.664
local terms energy: -469.508336
where:
bonds (distance) C4'-P energy: -87.608
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -114.207
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -115.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1385.331794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.331794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.331794 (E_RNA)
where:
Base-Base interactions energy: -953.162
where: short stacking energy: -389.501
Base-Backbone interact. energy: 2.190
local terms energy: -434.360118
where:
bonds (distance) C4'-P energy: -92.896
bonds (distance) P-C4' energy: -80.532
flat angles C4'-P-C4' energy: -112.332
flat angles P-C4'-P energy: -63.451
tors. eta vs tors. theta energy: -85.149
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: 296
Temperature: 1.250000
Total energy: -1217.486009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.486009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.486009 (E_RNA)
where:
Base-Base interactions energy: -817.403
where: short stacking energy: -353.744
Base-Backbone interact. energy: -4.075
local terms energy: -396.008059
where:
bonds (distance) C4'-P energy: -91.247
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -101.071
flat angles P-C4'-P energy: -56.484
tors. eta vs tors. theta energy: -74.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1103.934247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.934247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.934247 (E_RNA)
where:
Base-Base interactions energy: -723.846
where: short stacking energy: -332.249
Base-Backbone interact. energy: -0.235
local terms energy: -379.853101
where:
bonds (distance) C4'-P energy: -75.852
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -80.951
flat angles P-C4'-P energy: -62.957
tors. eta vs tors. theta energy: -68.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -814.416933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.416933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.416933 (E_RNA)
where:
Base-Base interactions energy: -485.367
where: short stacking energy: -223.989
Base-Backbone interact. energy: 0.388
local terms energy: -329.437301
where:
bonds (distance) C4'-P energy: -70.786
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -89.792
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -20.034
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: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1924.315540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.315540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.315540 (E_RNA)
where:
Base-Base interactions energy: -1375.709
where: short stacking energy: -558.552
Base-Backbone interact. energy: -3.639
local terms energy: -544.967194
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -122.124
flat angles P-C4'-P energy: -79.756
tors. eta vs tors. theta energy: -151.786
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: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1871.733224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.733224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.733224 (E_RNA)
where:
Base-Base interactions energy: -1290.912
where: short stacking energy: -551.815
Base-Backbone interact. energy: -4.422
local terms energy: -576.399531
where:
bonds (distance) C4'-P energy: -100.481
bonds (distance) P-C4' energy: -113.371
flat angles C4'-P-C4' energy: -126.527
flat angles P-C4'-P energy: -87.144
tors. eta vs tors. theta energy: -148.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1807.542551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.542551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.542551 (E_RNA)
where:
Base-Base interactions energy: -1256.500
where: short stacking energy: -520.996
Base-Backbone interact. energy: -0.808
local terms energy: -550.233997
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -77.837
tors. eta vs tors. theta energy: -142.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1740.438573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.438573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.438573 (E_RNA)
where:
Base-Base interactions energy: -1224.817
where: short stacking energy: -486.250
Base-Backbone interact. energy: -4.514
local terms energy: -511.107912
where:
bonds (distance) C4'-P energy: -98.993
bonds (distance) P-C4' energy: -89.009
flat angles C4'-P-C4' energy: -114.526
flat angles P-C4'-P energy: -62.867
tors. eta vs tors. theta energy: -145.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1616.573426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.573426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.573426 (E_RNA)
where:
Base-Base interactions energy: -1129.002
where: short stacking energy: -448.333
Base-Backbone interact. energy: -3.355
local terms energy: -484.216972
where:
bonds (distance) C4'-P energy: -84.295
bonds (distance) P-C4' energy: -110.357
flat angles C4'-P-C4' energy: -107.050
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -111.992
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: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1603.625143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.625143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.625143 (E_RNA)
where:
Base-Base interactions energy: -1118.777
where: short stacking energy: -459.114
Base-Backbone interact. energy: 0.345
local terms energy: -485.192778
where:
bonds (distance) C4'-P energy: -100.602
bonds (distance) P-C4' energy: -82.539
flat angles C4'-P-C4' energy: -101.011
flat angles P-C4'-P energy: -79.370
tors. eta vs tors. theta energy: -121.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1410.605898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.605898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.605898 (E_RNA)
where:
Base-Base interactions energy: -957.447
where: short stacking energy: -432.739
Base-Backbone interact. energy: -3.077
local terms energy: -450.081891
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -84.668
flat angles C4'-P-C4' energy: -104.296
flat angles P-C4'-P energy: -69.907
tors. eta vs tors. theta energy: -107.494
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1181.556987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.556987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.556987 (E_RNA)
where:
Base-Base interactions energy: -769.495
where: short stacking energy: -351.006
Base-Backbone interact. energy: -3.036
local terms energy: -409.025734
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -99.499
flat angles P-C4'-P energy: -53.046
tors. eta vs tors. theta energy: -63.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1142.040782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.040782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.040782 (E_RNA)
where:
Base-Base interactions energy: -761.564
where: short stacking energy: -333.610
Base-Backbone interact. energy: 4.197
local terms energy: -384.673661
where:
bonds (distance) C4'-P energy: -73.505
bonds (distance) P-C4' energy: -95.097
flat angles C4'-P-C4' energy: -89.370
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: -64.325
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: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -871.906815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.906815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.906815 (E_RNA)
where:
Base-Base interactions energy: -502.303
where: short stacking energy: -217.562
Base-Backbone interact. energy: -0.597
local terms energy: -369.007000
where:
bonds (distance) C4'-P energy: -108.262
bonds (distance) P-C4' energy: -91.627
flat angles C4'-P-C4' energy: -84.495
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -20.481
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: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1976.796429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.796429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.796429 (E_RNA)
where:
Base-Base interactions energy: -1405.071
where: short stacking energy: -562.280
Base-Backbone interact. energy: -1.493
local terms energy: -570.232572
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -112.127
flat angles C4'-P-C4' energy: -123.195
flat angles P-C4'-P energy: -73.214
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: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1826.681262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.681262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.681262 (E_RNA)
where:
Base-Base interactions energy: -1258.959
where: short stacking energy: -531.524
Base-Backbone interact. energy: -1.912
local terms energy: -565.809593
where:
bonds (distance) C4'-P energy: -98.279
bonds (distance) P-C4' energy: -110.924
flat angles C4'-P-C4' energy: -125.006
flat angles P-C4'-P energy: -80.395
tors. eta vs tors. theta energy: -151.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1816.092372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.092372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.092372 (E_RNA)
where:
Base-Base interactions energy: -1285.877
where: short stacking energy: -522.001
Base-Backbone interact. energy: 1.453
local terms energy: -531.668807
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -107.330
flat angles C4'-P-C4' energy: -118.823
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -139.879
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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1782.716236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.716236 (E_RNA)
where:
Base-Base interactions energy: -1245.930
where: short stacking energy: -505.134
Base-Backbone interact. energy: -0.528
local terms energy: -536.257992
where:
bonds (distance) C4'-P energy: -100.427
bonds (distance) P-C4' energy: -103.746
flat angles C4'-P-C4' energy: -112.185
flat angles P-C4'-P energy: -67.080
tors. eta vs tors. theta energy: -152.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1612.711067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.711067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.711067 (E_RNA)
where:
Base-Base interactions energy: -1132.420
where: short stacking energy: -455.673
Base-Backbone interact. energy: 4.016
local terms energy: -484.307194
where:
bonds (distance) C4'-P energy: -96.547
bonds (distance) P-C4' energy: -96.564
flat angles C4'-P-C4' energy: -110.872
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -113.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1554.513166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.513166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.513166 (E_RNA)
where:
Base-Base interactions energy: -1094.518
where: short stacking energy: -452.185
Base-Backbone interact. energy: -3.015
local terms energy: -456.980209
where:
bonds (distance) C4'-P energy: -74.897
bonds (distance) P-C4' energy: -94.989
flat angles C4'-P-C4' energy: -97.901
flat angles P-C4'-P energy: -62.032
tors. eta vs tors. theta energy: -127.162
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1385.086855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.086855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.086855 (E_RNA)
where:
Base-Base interactions energy: -929.487
where: short stacking energy: -394.513
Base-Backbone interact. energy: -1.346
local terms energy: -454.253838
where:
bonds (distance) C4'-P energy: -90.196
bonds (distance) P-C4' energy: -102.678
flat angles C4'-P-C4' energy: -102.415
flat angles P-C4'-P energy: -62.532
tors. eta vs tors. theta energy: -96.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1184.213854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.213854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.213854 (E_RNA)
where:
Base-Base interactions energy: -785.576
where: short stacking energy: -364.119
Base-Backbone interact. energy: 1.425
local terms energy: -400.063152
where:
bonds (distance) C4'-P energy: -81.367
bonds (distance) P-C4' energy: -88.813
flat angles C4'-P-C4' energy: -100.368
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -76.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1214.720278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.720278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.720278 (E_RNA)
where:
Base-Base interactions energy: -807.342
where: short stacking energy: -344.014
Base-Backbone interact. energy: -2.021
local terms energy: -405.357966
where:
bonds (distance) C4'-P energy: -101.682
bonds (distance) P-C4' energy: -72.231
flat angles C4'-P-C4' energy: -99.201
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -82.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -842.571984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.571984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.571984 (E_RNA)
where:
Base-Base interactions energy: -554.162
where: short stacking energy: -262.452
Base-Backbone interact. energy: 4.233
local terms energy: -292.642602
where:
bonds (distance) C4'-P energy: -71.759
bonds (distance) P-C4' energy: -72.411
flat angles C4'-P-C4' energy: -62.878
flat angles P-C4'-P energy: -54.380
tors. eta vs tors. theta energy: -31.214
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: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1935.752438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.752438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.752438 (E_RNA)
where:
Base-Base interactions energy: -1386.637
where: short stacking energy: -551.648
Base-Backbone interact. energy: -2.420
local terms energy: -546.696024
where:
bonds (distance) C4'-P energy: -103.984
bonds (distance) P-C4' energy: -107.653
flat angles C4'-P-C4' energy: -110.702
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -152.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1843.037749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.037749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.037749 (E_RNA)
where:
Base-Base interactions energy: -1279.174
where: short stacking energy: -532.212
Base-Backbone interact. energy: -2.181
local terms energy: -561.682335
where:
bonds (distance) C4'-P energy: -94.163
bonds (distance) P-C4' energy: -114.800
flat angles C4'-P-C4' energy: -125.393
flat angles P-C4'-P energy: -84.460
tors. eta vs tors. theta energy: -142.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1780.071826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.071826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.071826 (E_RNA)
where:
Base-Base interactions energy: -1245.154
where: short stacking energy: -525.456
Base-Backbone interact. energy: -3.535
local terms energy: -531.382795
where:
bonds (distance) C4'-P energy: -110.020
bonds (distance) P-C4' energy: -91.127
flat angles C4'-P-C4' energy: -110.013
flat angles P-C4'-P energy: -71.610
tors. eta vs tors. theta energy: -148.613
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: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1702.628571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.628571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.628571 (E_RNA)
where:
Base-Base interactions energy: -1183.097
where: short stacking energy: -463.589
Base-Backbone interact. energy: -2.757
local terms energy: -516.774329
where:
bonds (distance) C4'-P energy: -101.113
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -115.103
flat angles P-C4'-P energy: -63.174
tors. eta vs tors. theta energy: -126.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1637.770741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.770741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.770741 (E_RNA)
where:
Base-Base interactions energy: -1145.502
where: short stacking energy: -455.549
Base-Backbone interact. energy: -2.051
local terms energy: -490.217650
where:
bonds (distance) C4'-P energy: -92.097
bonds (distance) P-C4' energy: -106.589
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -78.854
tors. eta vs tors. theta energy: -107.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1517.796154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.796154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.796154 (E_RNA)
where:
Base-Base interactions energy: -1036.987
where: short stacking energy: -428.329
Base-Backbone interact. energy: 3.061
local terms energy: -483.870432
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -95.700
flat angles C4'-P-C4' energy: -108.220
flat angles P-C4'-P energy: -76.130
tors. eta vs tors. theta energy: -115.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1378.069067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.069067 (E_RNA)
where:
Base-Base interactions energy: -948.590
where: short stacking energy: -411.068
Base-Backbone interact. energy: -0.015
local terms energy: -429.463572
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -105.341
flat angles C4'-P-C4' energy: -95.698
flat angles P-C4'-P energy: -58.518
tors. eta vs tors. theta energy: -99.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1245.256492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.256492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.256492 (E_RNA)
where:
Base-Base interactions energy: -827.110
where: short stacking energy: -364.328
Base-Backbone interact. energy: -2.604
local terms energy: -415.542432
where:
bonds (distance) C4'-P energy: -87.688
bonds (distance) P-C4' energy: -98.082
flat angles C4'-P-C4' energy: -95.560
flat angles P-C4'-P energy: -55.315
tors. eta vs tors. theta energy: -78.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1169.193720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.193720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.193720 (E_RNA)
where:
Base-Base interactions energy: -781.446
where: short stacking energy: -353.903
Base-Backbone interact. energy: -1.294
local terms energy: -386.454208
where:
bonds (distance) C4'-P energy: -84.271
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: -83.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -884.108310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.108310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.108310 (E_RNA)
where:
Base-Base interactions energy: -534.096
where: short stacking energy: -269.546
Base-Backbone interact. energy: -4.083
local terms energy: -345.928699
where:
bonds (distance) C4'-P energy: -69.827
bonds (distance) P-C4' energy: -107.314
flat angles C4'-P-C4' energy: -86.821
flat angles P-C4'-P energy: -39.949
tors. eta vs tors. theta energy: -42.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1959.031208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.031208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.031208 (E_RNA)
where:
Base-Base interactions energy: -1367.485
where: short stacking energy: -561.107
Base-Backbone interact. energy: -2.383
local terms energy: -589.163251
where:
bonds (distance) C4'-P energy: -104.669
bonds (distance) P-C4' energy: -113.470
flat angles C4'-P-C4' energy: -124.316
flat angles P-C4'-P energy: -84.283
tors. eta vs tors. theta energy: -162.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1868.029772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.029772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.029772 (E_RNA)
where:
Base-Base interactions energy: -1323.713
where: short stacking energy: -536.483
Base-Backbone interact. energy: -2.817
local terms energy: -541.500099
where:
bonds (distance) C4'-P energy: -85.120
bonds (distance) P-C4' energy: -110.451
flat angles C4'-P-C4' energy: -129.660
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -143.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1800.195985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.195985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.195985 (E_RNA)
where:
Base-Base interactions energy: -1261.541
where: short stacking energy: -504.849
Base-Backbone interact. energy: -3.578
local terms energy: -535.076338
where:
bonds (distance) C4'-P energy: -113.225
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -117.210
flat angles P-C4'-P energy: -72.795
tors. eta vs tors. theta energy: -127.085
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: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1661.336706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.336706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.336706 (E_RNA)
where:
Base-Base interactions energy: -1177.540
where: short stacking energy: -472.953
Base-Backbone interact. energy: 0.811
local terms energy: -484.607870
where:
bonds (distance) C4'-P energy: -91.375
bonds (distance) P-C4' energy: -95.856
flat angles C4'-P-C4' energy: -105.755
flat angles P-C4'-P energy: -71.145
tors. eta vs tors. theta energy: -120.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1631.553262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.553262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.553262 (E_RNA)
where:
Base-Base interactions energy: -1138.014
where: short stacking energy: -450.388
Base-Backbone interact. energy: 0.946
local terms energy: -494.485249
where:
bonds (distance) C4'-P energy: -98.283
bonds (distance) P-C4' energy: -90.900
flat angles C4'-P-C4' energy: -105.336
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -114.489
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: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1516.013349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.013349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.013349 (E_RNA)
where:
Base-Base interactions energy: -1036.114
where: short stacking energy: -454.489
Base-Backbone interact. energy: -2.534
local terms energy: -477.365059
where:
bonds (distance) C4'-P energy: -85.730
bonds (distance) P-C4' energy: -91.999
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -67.565
tors. eta vs tors. theta energy: -122.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1395.589636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.589636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.589636 (E_RNA)
where:
Base-Base interactions energy: -972.654
where: short stacking energy: -399.792
Base-Backbone interact. energy: -5.365
local terms energy: -417.571451
where:
bonds (distance) C4'-P energy: -90.809
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -101.123
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1241.871791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.871791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.871791 (E_RNA)
where:
Base-Base interactions energy: -799.831
where: short stacking energy: -334.711
Base-Backbone interact. energy: 0.147
local terms energy: -442.187758
where:
bonds (distance) C4'-P energy: -96.270
bonds (distance) P-C4' energy: -101.758
flat angles C4'-P-C4' energy: -108.912
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -78.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1098.356098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.356098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.356098 (E_RNA)
where:
Base-Base interactions energy: -730.416
where: short stacking energy: -329.024
Base-Backbone interact. energy: 1.531
local terms energy: -369.470371
where:
bonds (distance) C4'-P energy: -73.545
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -86.433
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -63.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -883.518489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.518489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.518489 (E_RNA)
where:
Base-Base interactions energy: -518.696
where: short stacking energy: -258.323
Base-Backbone interact. energy: 1.523
local terms energy: -366.345622
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -86.192
flat angles P-C4'-P energy: -63.971
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1949.001179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.001179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.001179 (E_RNA)
where:
Base-Base interactions energy: -1366.322
where: short stacking energy: -562.459
Base-Backbone interact. energy: -3.881
local terms energy: -578.798068
where:
bonds (distance) C4'-P energy: -110.655
bonds (distance) P-C4' energy: -117.142
flat angles C4'-P-C4' energy: -124.494
flat angles P-C4'-P energy: -66.608
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1828.786459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.786459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.786459 (E_RNA)
where:
Base-Base interactions energy: -1295.559
where: short stacking energy: -544.658
Base-Backbone interact. energy: -2.391
local terms energy: -530.837240
where:
bonds (distance) C4'-P energy: -95.955
bonds (distance) P-C4' energy: -95.213
flat angles C4'-P-C4' energy: -122.608
flat angles P-C4'-P energy: -73.816
tors. eta vs tors. theta energy: -143.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1762.748018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.748018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.748018 (E_RNA)
where:
Base-Base interactions energy: -1244.227
where: short stacking energy: -531.940
Base-Backbone interact. energy: -2.415
local terms energy: -516.105924
where:
bonds (distance) C4'-P energy: -95.160
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -64.987
tors. eta vs tors. theta energy: -140.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1739.115534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.115534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.115534 (E_RNA)
where:
Base-Base interactions energy: -1230.559
where: short stacking energy: -504.553
Base-Backbone interact. energy: 0.155
local terms energy: -508.711628
where:
bonds (distance) C4'-P energy: -102.444
bonds (distance) P-C4' energy: -91.519
flat angles C4'-P-C4' energy: -115.939
flat angles P-C4'-P energy: -70.750
tors. eta vs tors. theta energy: -128.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1649.752098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.752098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.752098 (E_RNA)
where:
Base-Base interactions energy: -1158.323
where: short stacking energy: -479.639
Base-Backbone interact. energy: -2.641
local terms energy: -488.787319
where:
bonds (distance) C4'-P energy: -74.472
bonds (distance) P-C4' energy: -97.217
flat angles C4'-P-C4' energy: -113.490
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -119.456
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1523.230406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.230406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.230406 (E_RNA)
where:
Base-Base interactions energy: -1053.514
where: short stacking energy: -451.952
Base-Backbone interact. energy: -3.300
local terms energy: -466.416406
where:
bonds (distance) C4'-P energy: -90.900
bonds (distance) P-C4' energy: -95.231
flat angles C4'-P-C4' energy: -107.831
flat angles P-C4'-P energy: -59.857
tors. eta vs tors. theta energy: -112.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1459.506422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.506422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.506422 (E_RNA)
where:
Base-Base interactions energy: -998.969
where: short stacking energy: -418.968
Base-Backbone interact. energy: -4.012
local terms energy: -456.526072
where:
bonds (distance) C4'-P energy: -84.235
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -110.871
flat angles P-C4'-P energy: -69.126
tors. eta vs tors. theta energy: -95.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1234.331507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.331507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.331507 (E_RNA)
where:
Base-Base interactions energy: -815.246
where: short stacking energy: -358.913
Base-Backbone interact. energy: -3.329
local terms energy: -415.757140
where:
bonds (distance) C4'-P energy: -101.087
bonds (distance) P-C4' energy: -77.963
flat angles C4'-P-C4' energy: -83.463
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -78.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1126.416838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.416838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.416838 (E_RNA)
where:
Base-Base interactions energy: -744.285
where: short stacking energy: -315.612
Base-Backbone interact. energy: 1.404
local terms energy: -383.536604
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -92.526
flat angles P-C4'-P energy: -59.794
tors. eta vs tors. theta energy: -59.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -867.297106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.297106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.297106 (E_RNA)
where:
Base-Base interactions energy: -526.422
where: short stacking energy: -249.979
Base-Backbone interact. energy: -1.668
local terms energy: -339.206334
where:
bonds (distance) C4'-P energy: -80.879
bonds (distance) P-C4' energy: -97.654
flat angles C4'-P-C4' energy: -77.779
flat angles P-C4'-P energy: -55.363
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1943.999644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.999644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.999644 (E_RNA)
where:
Base-Base interactions energy: -1355.614
where: short stacking energy: -574.001
Base-Backbone interact. energy: -3.633
local terms energy: -584.752384
where:
bonds (distance) C4'-P energy: -108.363
bonds (distance) P-C4' energy: -106.547
flat angles C4'-P-C4' energy: -124.051
flat angles P-C4'-P energy: -84.918
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: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1815.306800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.306800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.306800 (E_RNA)
where:
Base-Base interactions energy: -1274.031
where: short stacking energy: -510.685
Base-Backbone interact. energy: -2.383
local terms energy: -538.892290
where:
bonds (distance) C4'-P energy: -104.957
bonds (distance) P-C4' energy: -93.335
flat angles C4'-P-C4' energy: -117.811
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -137.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1751.329796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.329796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.329796 (E_RNA)
where:
Base-Base interactions energy: -1201.062
where: short stacking energy: -491.564
Base-Backbone interact. energy: -4.709
local terms energy: -545.558235
where:
bonds (distance) C4'-P energy: -98.922
bonds (distance) P-C4' energy: -105.396
flat angles C4'-P-C4' energy: -120.760
flat angles P-C4'-P energy: -79.975
tors. eta vs tors. theta energy: -140.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1753.291528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.291528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.291528 (E_RNA)
where:
Base-Base interactions energy: -1224.371
where: short stacking energy: -516.137
Base-Backbone interact. energy: -3.638
local terms energy: -525.282671
where:
bonds (distance) C4'-P energy: -86.120
bonds (distance) P-C4' energy: -109.032
flat angles C4'-P-C4' energy: -126.773
flat angles P-C4'-P energy: -71.987
tors. eta vs tors. theta energy: -131.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1634.422753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.422753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.422753 (E_RNA)
where:
Base-Base interactions energy: -1124.636
where: short stacking energy: -468.265
Base-Backbone interact. energy: -1.769
local terms energy: -508.018034
where:
bonds (distance) C4'-P energy: -98.701
bonds (distance) P-C4' energy: -99.447
flat angles C4'-P-C4' energy: -110.769
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -119.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1511.299108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.299108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.299108 (E_RNA)
where:
Base-Base interactions energy: -1022.611
where: short stacking energy: -448.003
Base-Backbone interact. energy: -2.646
local terms energy: -486.041962
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -96.715
flat angles C4'-P-C4' energy: -108.784
flat angles P-C4'-P energy: -65.720
tors. eta vs tors. theta energy: -126.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1422.689854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.689854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.689854 (E_RNA)
where:
Base-Base interactions energy: -1002.792
where: short stacking energy: -414.790
Base-Backbone interact. energy: -1.852
local terms energy: -418.045666
where:
bonds (distance) C4'-P energy: -80.180
bonds (distance) P-C4' energy: -85.273
flat angles C4'-P-C4' energy: -86.643
flat angles P-C4'-P energy: -67.390
tors. eta vs tors. theta energy: -98.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1207.816157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.816157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.816157 (E_RNA)
where:
Base-Base interactions energy: -808.792
where: short stacking energy: -369.352
Base-Backbone interact. energy: 4.887
local terms energy: -403.911838
where:
bonds (distance) C4'-P energy: -97.210
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -90.507
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: 302
Temperature: 1.300000
Total energy: -1154.961754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.961754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.961754 (E_RNA)
where:
Base-Base interactions energy: -740.592
where: short stacking energy: -321.963
Base-Backbone interact. energy: -0.444
local terms energy: -413.925399
where:
bonds (distance) C4'-P energy: -87.651
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -63.947
tors. eta vs tors. theta energy: -71.500
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: 302
Temperature: 1.350000
Total energy: -900.469369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.469369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.469369 (E_RNA)
where:
Base-Base interactions energy: -588.554
where: short stacking energy: -260.885
Base-Backbone interact. energy: 3.646
local terms energy: -315.560975
where:
bonds (distance) C4'-P energy: -72.339
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -96.469
flat angles P-C4'-P energy: -49.338
tors. eta vs tors. theta energy: -25.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1969.003778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.003778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.003778 (E_RNA)
where:
Base-Base interactions energy: -1402.350
where: short stacking energy: -557.919
Base-Backbone interact. energy: -3.338
local terms energy: -563.315408
where:
bonds (distance) C4'-P energy: -94.651
bonds (distance) P-C4' energy: -109.966
flat angles C4'-P-C4' energy: -124.745
flat angles P-C4'-P energy: -82.061
tors. eta vs tors. theta energy: -151.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1776.011402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.011402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.011402 (E_RNA)
where:
Base-Base interactions energy: -1229.698
where: short stacking energy: -499.752
Base-Backbone interact. energy: -2.210
local terms energy: -544.103423
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -112.804
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -79.214
tors. eta vs tors. theta energy: -128.171
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: 303
Temperature: 1.000000
Total energy: -1794.880250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.880250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.880250 (E_RNA)
where:
Base-Base interactions energy: -1261.528
where: short stacking energy: -529.644
Base-Backbone interact. energy: -4.220
local terms energy: -529.133084
where:
bonds (distance) C4'-P energy: -103.563
bonds (distance) P-C4' energy: -104.026
flat angles C4'-P-C4' energy: -112.105
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -144.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1727.790343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.790343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.790343 (E_RNA)
where:
Base-Base interactions energy: -1190.679
where: short stacking energy: -494.180
Base-Backbone interact. energy: -4.146
local terms energy: -532.965670
where:
bonds (distance) C4'-P energy: -110.031
bonds (distance) P-C4' energy: -104.866
flat angles C4'-P-C4' energy: -105.753
flat angles P-C4'-P energy: -77.027
tors. eta vs tors. theta energy: -135.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1627.492381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.492381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.492381 (E_RNA)
where:
Base-Base interactions energy: -1149.017
where: short stacking energy: -481.875
Base-Backbone interact. energy: -1.758
local terms energy: -476.716851
where:
bonds (distance) C4'-P energy: -91.800
bonds (distance) P-C4' energy: -93.773
flat angles C4'-P-C4' energy: -97.216
flat angles P-C4'-P energy: -73.791
tors. eta vs tors. theta energy: -120.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1523.850358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.850358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.850358 (E_RNA)
where:
Base-Base interactions energy: -1045.458
where: short stacking energy: -447.928
Base-Backbone interact. energy: -0.714
local terms energy: -477.678103
where:
bonds (distance) C4'-P energy: -87.301
bonds (distance) P-C4' energy: -110.334
flat angles C4'-P-C4' energy: -104.716
flat angles P-C4'-P energy: -53.969
tors. eta vs tors. theta energy: -121.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1421.937849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.937849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.937849 (E_RNA)
where:
Base-Base interactions energy: -976.202
where: short stacking energy: -420.516
Base-Backbone interact. energy: -3.354
local terms energy: -442.381305
where:
bonds (distance) C4'-P energy: -78.713
bonds (distance) P-C4' energy: -108.679
flat angles C4'-P-C4' energy: -90.058
flat angles P-C4'-P energy: -57.904
tors. eta vs tors. theta energy: -107.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1217.455863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.455863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.455863 (E_RNA)
where:
Base-Base interactions energy: -805.825
where: short stacking energy: -344.265
Base-Backbone interact. energy: 1.902
local terms energy: -413.533737
where:
bonds (distance) C4'-P energy: -101.768
bonds (distance) P-C4' energy: -92.669
flat angles C4'-P-C4' energy: -92.992
flat angles P-C4'-P energy: -65.007
tors. eta vs tors. theta energy: -61.098
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1163.105448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.105448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.105448 (E_RNA)
where:
Base-Base interactions energy: -760.082
where: short stacking energy: -331.062
Base-Backbone interact. energy: -0.283
local terms energy: -402.740883
where:
bonds (distance) C4'-P energy: -92.700
bonds (distance) P-C4' energy: -90.749
flat angles C4'-P-C4' energy: -95.781
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: -67.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -885.417838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.417838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.417838 (E_RNA)
where:
Base-Base interactions energy: -526.198
where: short stacking energy: -253.296
Base-Backbone interact. energy: 4.455
local terms energy: -363.674177
where:
bonds (distance) C4'-P energy: -88.850
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -89.958
flat angles P-C4'-P energy: -55.893
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1961.158120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.158120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.158120 (E_RNA)
where:
Base-Base interactions energy: -1376.688
where: short stacking energy: -564.469
Base-Backbone interact. energy: -1.876
local terms energy: -582.594251
where:
bonds (distance) C4'-P energy: -107.398
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -123.535
flat angles P-C4'-P energy: -85.079
tors. eta vs tors. theta energy: -157.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1805.433941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.433941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.433941 (E_RNA)
where:
Base-Base interactions energy: -1284.628
where: short stacking energy: -526.210
Base-Backbone interact. energy: 0.170
local terms energy: -520.976433
where:
bonds (distance) C4'-P energy: -95.036
bonds (distance) P-C4' energy: -103.148
flat angles C4'-P-C4' energy: -114.849
flat angles P-C4'-P energy: -75.673
tors. eta vs tors. theta energy: -132.271
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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1784.283303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.283303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.283303 (E_RNA)
where:
Base-Base interactions energy: -1248.440
where: short stacking energy: -512.189
Base-Backbone interact. energy: -0.904
local terms energy: -534.939497
where:
bonds (distance) C4'-P energy: -102.799
bonds (distance) P-C4' energy: -95.067
flat angles C4'-P-C4' energy: -111.614
flat angles P-C4'-P energy: -86.355
tors. eta vs tors. theta energy: -139.104
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: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1747.190607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.190607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.190607 (E_RNA)
where:
Base-Base interactions energy: -1238.824
where: short stacking energy: -517.725
Base-Backbone interact. energy: -1.095
local terms energy: -507.271366
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -103.692
flat angles C4'-P-C4' energy: -100.462
flat angles P-C4'-P energy: -72.548
tors. eta vs tors. theta energy: -129.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1655.705880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.705880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.705880 (E_RNA)
where:
Base-Base interactions energy: -1192.506
where: short stacking energy: -493.166
Base-Backbone interact. energy: 1.580
local terms energy: -464.780295
where:
bonds (distance) C4'-P energy: -105.644
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -109.575
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -124.297
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: 304
Temperature: 1.150000
Total energy: -1525.509108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.509108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.509108 (E_RNA)
where:
Base-Base interactions energy: -1069.147
where: short stacking energy: -450.481
Base-Backbone interact. energy: -0.477
local terms energy: -455.885490
where:
bonds (distance) C4'-P energy: -88.007
bonds (distance) P-C4' energy: -77.672
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -121.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1428.092179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.092179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.092179 (E_RNA)
where:
Base-Base interactions energy: -994.385
where: short stacking energy: -429.435
Base-Backbone interact. energy: -0.257
local terms energy: -433.450707
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -98.636
flat angles P-C4'-P energy: -57.990
tors. eta vs tors. theta energy: -104.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1220.321804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.321804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.321804 (E_RNA)
where:
Base-Base interactions energy: -816.557
where: short stacking energy: -345.314
Base-Backbone interact. energy: 0.015
local terms energy: -403.779158
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -103.776
flat angles C4'-P-C4' energy: -91.137
flat angles P-C4'-P energy: -76.367
tors. eta vs tors. theta energy: -63.269
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1182.492308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.492308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.492308 (E_RNA)
where:
Base-Base interactions energy: -792.494
where: short stacking energy: -347.982
Base-Backbone interact. energy: -1.099
local terms energy: -388.899158
where:
bonds (distance) C4'-P energy: -87.428
bonds (distance) P-C4' energy: -96.197
flat angles C4'-P-C4' energy: -85.524
flat angles P-C4'-P energy: -56.153
tors. eta vs tors. theta energy: -63.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -819.857963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.857963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.857963 (E_RNA)
where:
Base-Base interactions energy: -499.648
where: short stacking energy: -228.423
Base-Backbone interact. energy: 3.441
local terms energy: -323.651083
where:
bonds (distance) C4'-P energy: -85.363
bonds (distance) P-C4' energy: -84.340
flat angles C4'-P-C4' energy: -74.750
flat angles P-C4'-P energy: -56.628
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1947.607324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.607324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.607324 (E_RNA)
where:
Base-Base interactions energy: -1363.566
where: short stacking energy: -564.493
Base-Backbone interact. energy: 3.842
local terms energy: -587.882502
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -104.932
flat angles C4'-P-C4' energy: -121.271
flat angles P-C4'-P energy: -92.914
tors. eta vs tors. theta energy: -157.327
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: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1830.193065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.193065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.193065 (E_RNA)
where:
Base-Base interactions energy: -1277.485
where: short stacking energy: -554.251
Base-Backbone interact. energy: -1.564
local terms energy: -551.143723
where:
bonds (distance) C4'-P energy: -99.131
bonds (distance) P-C4' energy: -102.049
flat angles C4'-P-C4' energy: -126.252
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -148.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1810.612101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.612101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.612101 (E_RNA)
where:
Base-Base interactions energy: -1266.928
where: short stacking energy: -522.323
Base-Backbone interact. energy: -2.807
local terms energy: -540.876266
where:
bonds (distance) C4'-P energy: -89.898
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -123.000
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -137.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1743.852575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.852575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.852575 (E_RNA)
where:
Base-Base interactions energy: -1238.737
where: short stacking energy: -496.787
Base-Backbone interact. energy: -2.677
local terms energy: -502.438517
where:
bonds (distance) C4'-P energy: -83.097
bonds (distance) P-C4' energy: -99.270
flat angles C4'-P-C4' energy: -109.049
flat angles P-C4'-P energy: -74.568
tors. eta vs tors. theta energy: -136.455
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: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1601.531727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.531727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.531727 (E_RNA)
where:
Base-Base interactions energy: -1101.516
where: short stacking energy: -451.486
Base-Backbone interact. energy: 0.047
local terms energy: -500.062504
where:
bonds (distance) C4'-P energy: -91.744
bonds (distance) P-C4' energy: -99.807
flat angles C4'-P-C4' energy: -118.644
flat angles P-C4'-P energy: -65.315
tors. eta vs tors. theta energy: -124.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1564.790230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.790230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.790230 (E_RNA)
where:
Base-Base interactions energy: -1106.347
where: short stacking energy: -477.086
Base-Backbone interact. energy: -5.063
local terms energy: -453.379858
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -88.620
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -115.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1428.918146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.918146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.918146 (E_RNA)
where:
Base-Base interactions energy: -1008.724
where: short stacking energy: -405.165
Base-Backbone interact. energy: 2.282
local terms energy: -422.476776
where:
bonds (distance) C4'-P energy: -76.519
bonds (distance) P-C4' energy: -70.791
flat angles C4'-P-C4' energy: -110.537
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -103.665
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: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1195.197903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.197903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.197903 (E_RNA)
where:
Base-Base interactions energy: -796.670
where: short stacking energy: -360.990
Base-Backbone interact. energy: -1.287
local terms energy: -397.241496
where:
bonds (distance) C4'-P energy: -76.861
bonds (distance) P-C4' energy: -88.847
flat angles C4'-P-C4' energy: -85.868
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: -93.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1157.482509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.482509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.482509 (E_RNA)
where:
Base-Base interactions energy: -737.348
where: short stacking energy: -311.165
Base-Backbone interact. energy: -0.966
local terms energy: -419.168642
where:
bonds (distance) C4'-P energy: -107.953
bonds (distance) P-C4' energy: -94.533
flat angles C4'-P-C4' energy: -92.341
flat angles P-C4'-P energy: -69.013
tors. eta vs tors. theta energy: -55.329
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: 305
Temperature: 1.350000
Total energy: -851.247714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.247714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.247714 (E_RNA)
where:
Base-Base interactions energy: -504.473
where: short stacking energy: -247.962
Base-Backbone interact. energy: 5.190
local terms energy: -351.964771
where:
bonds (distance) C4'-P energy: -96.524
bonds (distance) P-C4' energy: -90.008
flat angles C4'-P-C4' energy: -79.366
flat angles P-C4'-P energy: -57.794
tors. eta vs tors. theta energy: -28.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1964.473555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.473555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.473555 (E_RNA)
where:
Base-Base interactions energy: -1390.488
where: short stacking energy: -578.477
Base-Backbone interact. energy: 3.247
local terms energy: -577.232905
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -112.831
flat angles C4'-P-C4' energy: -115.506
flat angles P-C4'-P energy: -87.825
tors. eta vs tors. theta energy: -155.120
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: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1823.455998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.455998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.455998 (E_RNA)
where:
Base-Base interactions energy: -1284.997
where: short stacking energy: -518.895
Base-Backbone interact. energy: -2.425
local terms energy: -536.034158
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -104.913
flat angles C4'-P-C4' energy: -121.140
flat angles P-C4'-P energy: -76.370
tors. eta vs tors. theta energy: -140.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1774.034363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.034363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.034363 (E_RNA)
where:
Base-Base interactions energy: -1236.068
where: short stacking energy: -523.155
Base-Backbone interact. energy: -1.791
local terms energy: -536.175810
where:
bonds (distance) C4'-P energy: -97.126
bonds (distance) P-C4' energy: -99.432
flat angles C4'-P-C4' energy: -123.828
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -146.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1739.445441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.445441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.445441 (E_RNA)
where:
Base-Base interactions energy: -1231.406
where: short stacking energy: -473.959
Base-Backbone interact. energy: -1.741
local terms energy: -506.297809
where:
bonds (distance) C4'-P energy: -98.311
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -118.543
flat angles P-C4'-P energy: -66.466
tors. eta vs tors. theta energy: -123.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1624.358382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.358382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.358382 (E_RNA)
where:
Base-Base interactions energy: -1118.662
where: short stacking energy: -502.768
Base-Backbone interact. energy: 2.536
local terms energy: -508.232631
where:
bonds (distance) C4'-P energy: -87.187
bonds (distance) P-C4' energy: -97.630
flat angles C4'-P-C4' energy: -121.878
flat angles P-C4'-P energy: -64.762
tors. eta vs tors. theta energy: -136.775
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: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1593.073844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.073844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.073844 (E_RNA)
where:
Base-Base interactions energy: -1135.642
where: short stacking energy: -478.898
Base-Backbone interact. energy: -2.373
local terms energy: -455.058466
where:
bonds (distance) C4'-P energy: -78.019
bonds (distance) P-C4' energy: -83.117
flat angles C4'-P-C4' energy: -112.744
flat angles P-C4'-P energy: -61.169
tors. eta vs tors. theta energy: -120.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1411.261025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.261025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.261025 (E_RNA)
where:
Base-Base interactions energy: -954.405
where: short stacking energy: -405.805
Base-Backbone interact. energy: 0.151
local terms energy: -457.006695
where:
bonds (distance) C4'-P energy: -103.280
bonds (distance) P-C4' energy: -104.390
flat angles C4'-P-C4' energy: -98.146
flat angles P-C4'-P energy: -54.638
tors. eta vs tors. theta energy: -96.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1224.576864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.576864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.576864 (E_RNA)
where:
Base-Base interactions energy: -834.938
where: short stacking energy: -375.147
Base-Backbone interact. energy: -0.366
local terms energy: -389.273501
where:
bonds (distance) C4'-P energy: -77.613
bonds (distance) P-C4' energy: -82.230
flat angles C4'-P-C4' energy: -93.322
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -85.540
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: 306
Temperature: 1.300000
Total energy: -1162.599349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.599349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.599349 (E_RNA)
where:
Base-Base interactions energy: -779.013
where: short stacking energy: -327.073
Base-Backbone interact. energy: 2.088
local terms energy: -385.673750
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -93.792
flat angles P-C4'-P energy: -56.589
tors. eta vs tors. theta energy: -50.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -881.068775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.068775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.068775 (E_RNA)
where:
Base-Base interactions energy: -552.539
where: short stacking energy: -255.768
Base-Backbone interact. energy: 2.946
local terms energy: -331.476333
where:
bonds (distance) C4'-P energy: -79.234
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -84.375
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -46.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1945.263834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.263834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.263834 (E_RNA)
where:
Base-Base interactions energy: -1379.062
where: short stacking energy: -552.340
Base-Backbone interact. energy: -2.350
local terms energy: -563.852509
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -106.828
flat angles C4'-P-C4' energy: -123.282
flat angles P-C4'-P energy: -87.476
tors. eta vs tors. theta energy: -147.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1847.552112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.552112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.552112 (E_RNA)
where:
Base-Base interactions energy: -1294.341
where: short stacking energy: -521.798
Base-Backbone interact. energy: -3.538
local terms energy: -549.673498
where:
bonds (distance) C4'-P energy: -105.099
bonds (distance) P-C4' energy: -107.795
flat angles C4'-P-C4' energy: -122.827
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -139.609
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: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1785.287298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.287298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.287298 (E_RNA)
where:
Base-Base interactions energy: -1240.837
where: short stacking energy: -522.013
Base-Backbone interact. energy: -0.023
local terms energy: -544.428088
where:
bonds (distance) C4'-P energy: -95.355
bonds (distance) P-C4' energy: -105.123
flat angles C4'-P-C4' energy: -123.678
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -136.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1766.767311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.767311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.767311 (E_RNA)
where:
Base-Base interactions energy: -1240.802
where: short stacking energy: -520.141
Base-Backbone interact. energy: -2.484
local terms energy: -523.481941
where:
bonds (distance) C4'-P energy: -91.250
bonds (distance) P-C4' energy: -102.180
flat angles C4'-P-C4' energy: -118.260
flat angles P-C4'-P energy: -81.518
tors. eta vs tors. theta energy: -130.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1642.567388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.567388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.567388 (E_RNA)
where:
Base-Base interactions energy: -1154.865
where: short stacking energy: -485.653
Base-Backbone interact. energy: -1.187
local terms energy: -486.515593
where:
bonds (distance) C4'-P energy: -88.783
bonds (distance) P-C4' energy: -83.201
flat angles C4'-P-C4' energy: -110.146
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -121.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1585.940014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.940014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.940014 (E_RNA)
where:
Base-Base interactions energy: -1124.252
where: short stacking energy: -437.919
Base-Backbone interact. energy: -3.223
local terms energy: -458.465294
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -106.248
flat angles C4'-P-C4' energy: -100.549
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -107.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1410.636175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.636175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.636175 (E_RNA)
where:
Base-Base interactions energy: -970.310
where: short stacking energy: -389.503
Base-Backbone interact. energy: 2.661
local terms energy: -442.987458
where:
bonds (distance) C4'-P energy: -88.843
bonds (distance) P-C4' energy: -93.589
flat angles C4'-P-C4' energy: -94.052
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -95.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1219.483314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.483314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.483314 (E_RNA)
where:
Base-Base interactions energy: -802.106
where: short stacking energy: -351.063
Base-Backbone interact. energy: 6.691
local terms energy: -424.068233
where:
bonds (distance) C4'-P energy: -91.601
bonds (distance) P-C4' energy: -102.585
flat angles C4'-P-C4' energy: -92.891
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -78.020
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: 307
Temperature: 1.300000
Total energy: -1198.256681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.256681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.256681 (E_RNA)
where:
Base-Base interactions energy: -797.768
where: short stacking energy: -346.416
Base-Backbone interact. energy: -2.175
local terms energy: -398.314167
where:
bonds (distance) C4'-P energy: -87.173
bonds (distance) P-C4' energy: -89.835
flat angles C4'-P-C4' energy: -91.859
flat angles P-C4'-P energy: -59.120
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -974.901973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.901973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.901973 (E_RNA)
where:
Base-Base interactions energy: -629.295
where: short stacking energy: -275.370
Base-Backbone interact. energy: -1.777
local terms energy: -343.829740
where:
bonds (distance) C4'-P energy: -83.017
bonds (distance) P-C4' energy: -88.199
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -57.913
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1933.397635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.397635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.397635 (E_RNA)
where:
Base-Base interactions energy: -1360.973
where: short stacking energy: -560.718
Base-Backbone interact. energy: -4.248
local terms energy: -568.176287
where:
bonds (distance) C4'-P energy: -106.378
bonds (distance) P-C4' energy: -113.470
flat angles C4'-P-C4' energy: -118.354
flat angles P-C4'-P energy: -80.088
tors. eta vs tors. theta energy: -149.886
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: 308
Temperature: 0.950000
Total energy: -1824.570328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.570328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.570328 (E_RNA)
where:
Base-Base interactions energy: -1275.032
where: short stacking energy: -526.517
Base-Backbone interact. energy: -1.750
local terms energy: -547.788370
where:
bonds (distance) C4'-P energy: -105.832
bonds (distance) P-C4' energy: -110.540
flat angles C4'-P-C4' energy: -116.767
flat angles P-C4'-P energy: -78.808
tors. eta vs tors. theta energy: -135.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1803.600686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.600686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.600686 (E_RNA)
where:
Base-Base interactions energy: -1257.919
where: short stacking energy: -522.354
Base-Backbone interact. energy: -2.404
local terms energy: -543.277464
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -107.040
flat angles C4'-P-C4' energy: -113.279
flat angles P-C4'-P energy: -84.738
tors. eta vs tors. theta energy: -144.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1736.039077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.039077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.039077 (E_RNA)
where:
Base-Base interactions energy: -1243.670
where: short stacking energy: -501.697
Base-Backbone interact. energy: -5.313
local terms energy: -487.056839
where:
bonds (distance) C4'-P energy: -88.047
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -99.595
flat angles P-C4'-P energy: -72.816
tors. eta vs tors. theta energy: -123.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1627.122132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.122132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.122132 (E_RNA)
where:
Base-Base interactions energy: -1131.177
where: short stacking energy: -494.555
Base-Backbone interact. energy: 3.712
local terms energy: -499.657800
where:
bonds (distance) C4'-P energy: -104.568
bonds (distance) P-C4' energy: -79.459
flat angles C4'-P-C4' energy: -114.055
flat angles P-C4'-P energy: -71.695
tors. eta vs tors. theta energy: -129.881
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: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1588.761161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.761161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.761161 (E_RNA)
where:
Base-Base interactions energy: -1105.787
where: short stacking energy: -458.517
Base-Backbone interact. energy: 2.488
local terms energy: -485.462366
where:
bonds (distance) C4'-P energy: -99.247
bonds (distance) P-C4' energy: -90.039
flat angles C4'-P-C4' energy: -106.475
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -115.953
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: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1398.088405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.088405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.088405 (E_RNA)
where:
Base-Base interactions energy: -942.884
where: short stacking energy: -399.270
Base-Backbone interact. energy: -3.272
local terms energy: -451.933114
where:
bonds (distance) C4'-P energy: -87.010
bonds (distance) P-C4' energy: -89.428
flat angles C4'-P-C4' energy: -110.585
flat angles P-C4'-P energy: -72.292
tors. eta vs tors. theta energy: -92.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1210.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.157895 (E_RNA)
where:
Base-Base interactions energy: -823.118
where: short stacking energy: -377.807
Base-Backbone interact. energy: -1.250
local terms energy: -385.789667
where:
bonds (distance) C4'-P energy: -82.777
bonds (distance) P-C4' energy: -97.068
flat angles C4'-P-C4' energy: -73.274
flat angles P-C4'-P energy: -58.121
tors. eta vs tors. theta energy: -74.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1116.092202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.092202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.092202 (E_RNA)
where:
Base-Base interactions energy: -740.427
where: short stacking energy: -319.394
Base-Backbone interact. energy: -2.499
local terms energy: -373.166266
where:
bonds (distance) C4'-P energy: -90.663
bonds (distance) P-C4' energy: -85.971
flat angles C4'-P-C4' energy: -80.501
flat angles P-C4'-P energy: -58.306
tors. eta vs tors. theta energy: -57.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -897.050507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.050507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.050507 (E_RNA)
where:
Base-Base interactions energy: -557.586
where: short stacking energy: -255.245
Base-Backbone interact. energy: 2.166
local terms energy: -341.631087
where:
bonds (distance) C4'-P energy: -75.570
bonds (distance) P-C4' energy: -87.490
flat angles C4'-P-C4' energy: -97.779
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1949.339621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.339621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.339621 (E_RNA)
where:
Base-Base interactions energy: -1360.185
where: short stacking energy: -534.493
Base-Backbone interact. energy: -1.756
local terms energy: -587.399308
where:
bonds (distance) C4'-P energy: -115.330
bonds (distance) P-C4' energy: -106.860
flat angles C4'-P-C4' energy: -125.312
flat angles P-C4'-P energy: -88.120
tors. eta vs tors. theta energy: -151.778
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: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1846.531499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.531499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.531499 (E_RNA)
where:
Base-Base interactions energy: -1299.204
where: short stacking energy: -525.418
Base-Backbone interact. energy: -5.383
local terms energy: -541.944352
where:
bonds (distance) C4'-P energy: -93.717
bonds (distance) P-C4' energy: -104.922
flat angles C4'-P-C4' energy: -118.907
flat angles P-C4'-P energy: -83.012
tors. eta vs tors. theta energy: -141.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1788.549365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.549365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.549365 (E_RNA)
where:
Base-Base interactions energy: -1254.643
where: short stacking energy: -505.037
Base-Backbone interact. energy: -2.177
local terms energy: -531.729893
where:
bonds (distance) C4'-P energy: -105.661
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -115.747
flat angles P-C4'-P energy: -79.632
tors. eta vs tors. theta energy: -136.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1750.312454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.312454 (E_RNA)
where:
Base-Base interactions energy: -1233.900
where: short stacking energy: -505.439
Base-Backbone interact. energy: -4.154
local terms energy: -512.257900
where:
bonds (distance) C4'-P energy: -94.104
bonds (distance) P-C4' energy: -100.234
flat angles C4'-P-C4' energy: -114.013
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -125.530
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1669.032460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.032460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.032460 (E_RNA)
where:
Base-Base interactions energy: -1153.161
where: short stacking energy: -488.494
Base-Backbone interact. energy: -0.834
local terms energy: -515.037656
where:
bonds (distance) C4'-P energy: -98.252
bonds (distance) P-C4' energy: -99.146
flat angles C4'-P-C4' energy: -114.564
flat angles P-C4'-P energy: -68.191
tors. eta vs tors. theta energy: -134.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1599.976115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.976115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.976115 (E_RNA)
where:
Base-Base interactions energy: -1112.158
where: short stacking energy: -452.593
Base-Backbone interact. energy: -1.793
local terms energy: -486.025043
where:
bonds (distance) C4'-P energy: -85.926
bonds (distance) P-C4' energy: -85.380
flat angles C4'-P-C4' energy: -120.791
flat angles P-C4'-P energy: -72.495
tors. eta vs tors. theta energy: -121.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1408.869233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.869233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.869233 (E_RNA)
where:
Base-Base interactions energy: -993.499
where: short stacking energy: -405.101
Base-Backbone interact. energy: -3.862
local terms energy: -411.507987
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -68.080
tors. eta vs tors. theta energy: -104.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1217.437691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.437691 (E_RNA)
where:
Base-Base interactions energy: -795.626
where: short stacking energy: -344.695
Base-Backbone interact. energy: -0.066
local terms energy: -421.745852
where:
bonds (distance) C4'-P energy: -79.433
bonds (distance) P-C4' energy: -85.946
flat angles C4'-P-C4' energy: -106.427
flat angles P-C4'-P energy: -60.839
tors. eta vs tors. theta energy: -89.102
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1155.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.541172 (E_RNA)
where:
Base-Base interactions energy: -784.914
where: short stacking energy: -332.211
Base-Backbone interact. energy: -2.702
local terms energy: -367.925648
where:
bonds (distance) C4'-P energy: -86.869
bonds (distance) P-C4' energy: -89.624
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -56.371
tors. eta vs tors. theta energy: -62.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -914.819857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.819857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.819857 (E_RNA)
where:
Base-Base interactions energy: -571.323
where: short stacking energy: -266.569
Base-Backbone interact. energy: -1.468
local terms energy: -342.028816
where:
bonds (distance) C4'-P energy: -88.547
bonds (distance) P-C4' energy: -69.199
flat angles C4'-P-C4' energy: -90.256
flat angles P-C4'-P energy: -66.846
tors. eta vs tors. theta energy: -27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1950.351658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.351658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.351658 (E_RNA)
where:
Base-Base interactions energy: -1375.777
where: short stacking energy: -562.006
Base-Backbone interact. energy: -0.899
local terms energy: -573.675789
where:
bonds (distance) C4'-P energy: -111.025
bonds (distance) P-C4' energy: -110.228
flat angles C4'-P-C4' energy: -118.131
flat angles P-C4'-P energy: -80.262
tors. eta vs tors. theta energy: -154.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1818.179397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.179397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.179397 (E_RNA)
where:
Base-Base interactions energy: -1275.854
where: short stacking energy: -540.462
Base-Backbone interact. energy: -0.585
local terms energy: -541.740645
where:
bonds (distance) C4'-P energy: -105.852
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -114.493
flat angles P-C4'-P energy: -73.900
tors. eta vs tors. theta energy: -139.147
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: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1808.719225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.719225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.719225 (E_RNA)
where:
Base-Base interactions energy: -1269.959
where: short stacking energy: -513.481
Base-Backbone interact. energy: -3.235
local terms energy: -535.525994
where:
bonds (distance) C4'-P energy: -97.866
bonds (distance) P-C4' energy: -113.574
flat angles C4'-P-C4' energy: -116.103
flat angles P-C4'-P energy: -79.947
tors. eta vs tors. theta energy: -128.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1736.924437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.924437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.924437 (E_RNA)
where:
Base-Base interactions energy: -1200.598
where: short stacking energy: -477.762
Base-Backbone interact. energy: -2.618
local terms energy: -533.708626
where:
bonds (distance) C4'-P energy: -101.496
bonds (distance) P-C4' energy: -105.638
flat angles C4'-P-C4' energy: -112.379
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -138.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1656.522677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.522677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.522677 (E_RNA)
where:
Base-Base interactions energy: -1161.181
where: short stacking energy: -486.263
Base-Backbone interact. energy: 1.151
local terms energy: -496.491747
where:
bonds (distance) C4'-P energy: -99.122
bonds (distance) P-C4' energy: -89.795
flat angles C4'-P-C4' energy: -108.173
flat angles P-C4'-P energy: -74.276
tors. eta vs tors. theta energy: -125.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1623.118229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.118229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.118229 (E_RNA)
where:
Base-Base interactions energy: -1155.275
where: short stacking energy: -466.121
Base-Backbone interact. energy: -0.807
local terms energy: -467.036095
where:
bonds (distance) C4'-P energy: -84.769
bonds (distance) P-C4' energy: -89.677
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -72.417
tors. eta vs tors. theta energy: -112.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1411.810418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.810418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.810418 (E_RNA)
where:
Base-Base interactions energy: -970.281
where: short stacking energy: -417.276
Base-Backbone interact. energy: -1.859
local terms energy: -439.670848
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -110.206
flat angles P-C4'-P energy: -72.182
tors. eta vs tors. theta energy: -81.554
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1220.914276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.914276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.914276 (E_RNA)
where:
Base-Base interactions energy: -815.058
where: short stacking energy: -372.420
Base-Backbone interact. energy: -1.828
local terms energy: -404.028193
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -87.421
flat angles C4'-P-C4' energy: -97.695
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: -77.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1149.225273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.225273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.225273 (E_RNA)
where:
Base-Base interactions energy: -761.462
where: short stacking energy: -333.184
Base-Backbone interact. energy: 1.701
local terms energy: -389.464645
where:
bonds (distance) C4'-P energy: -98.489
bonds (distance) P-C4' energy: -88.480
flat angles C4'-P-C4' energy: -108.499
flat angles P-C4'-P energy: -53.005
tors. eta vs tors. theta energy: -40.991
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: 310
Temperature: 1.350000
Total energy: -908.038321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.038321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.038321 (E_RNA)
where:
Base-Base interactions energy: -596.907
where: short stacking energy: -274.981
Base-Backbone interact. energy: -3.447
local terms energy: -307.684908
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -84.510
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1959.796009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.796009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.796009 (E_RNA)
where:
Base-Base interactions energy: -1381.405
where: short stacking energy: -557.425
Base-Backbone interact. energy: -2.635
local terms energy: -575.755477
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -111.471
flat angles C4'-P-C4' energy: -118.088
flat angles P-C4'-P energy: -80.014
tors. eta vs tors. theta energy: -153.541
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1834.376142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.376142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.376142 (E_RNA)
where:
Base-Base interactions energy: -1287.904
where: short stacking energy: -539.176
Base-Backbone interact. energy: -2.589
local terms energy: -543.883376
where:
bonds (distance) C4'-P energy: -103.101
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -118.951
flat angles P-C4'-P energy: -75.204
tors. eta vs tors. theta energy: -144.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1778.661246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.661246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.661246 (E_RNA)
where:
Base-Base interactions energy: -1225.189
where: short stacking energy: -516.902
Base-Backbone interact. energy: -0.787
local terms energy: -552.685466
where:
bonds (distance) C4'-P energy: -99.651
bonds (distance) P-C4' energy: -101.561
flat angles C4'-P-C4' energy: -127.144
flat angles P-C4'-P energy: -87.694
tors. eta vs tors. theta energy: -136.635
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: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1696.951430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.951430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.951430 (E_RNA)
where:
Base-Base interactions energy: -1200.869
where: short stacking energy: -478.051
Base-Backbone interact. energy: -4.474
local terms energy: -491.608527
where:
bonds (distance) C4'-P energy: -71.755
bonds (distance) P-C4' energy: -97.660
flat angles C4'-P-C4' energy: -119.668
flat angles P-C4'-P energy: -78.689
tors. eta vs tors. theta energy: -123.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1665.539897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.539897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.539897 (E_RNA)
where:
Base-Base interactions energy: -1161.819
where: short stacking energy: -480.335
Base-Backbone interact. energy: 2.847
local terms energy: -506.567377
where:
bonds (distance) C4'-P energy: -97.215
bonds (distance) P-C4' energy: -107.359
flat angles C4'-P-C4' energy: -102.127
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -127.324
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: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1577.927848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.927848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.927848 (E_RNA)
where:
Base-Base interactions energy: -1103.859
where: short stacking energy: -460.449
Base-Backbone interact. energy: -2.345
local terms energy: -471.724019
where:
bonds (distance) C4'-P energy: -86.265
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -103.251
flat angles P-C4'-P energy: -74.980
tors. eta vs tors. theta energy: -112.532
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1354.001802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.001802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.001802 (E_RNA)
where:
Base-Base interactions energy: -896.135
where: short stacking energy: -395.142
Base-Backbone interact. energy: -2.896
local terms energy: -454.970331
where:
bonds (distance) C4'-P energy: -96.404
bonds (distance) P-C4' energy: -97.128
flat angles C4'-P-C4' energy: -115.684
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: -87.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1212.498318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.498318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.498318 (E_RNA)
where:
Base-Base interactions energy: -795.202
where: short stacking energy: -352.405
Base-Backbone interact. energy: -0.555
local terms energy: -416.740679
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -97.815
flat angles C4'-P-C4' energy: -98.600
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -87.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1168.723377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.723377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.723377 (E_RNA)
where:
Base-Base interactions energy: -764.432
where: short stacking energy: -334.335
Base-Backbone interact. energy: -0.080
local terms energy: -404.211013
where:
bonds (distance) C4'-P energy: -100.421
bonds (distance) P-C4' energy: -83.730
flat angles C4'-P-C4' energy: -93.581
flat angles P-C4'-P energy: -59.644
tors. eta vs tors. theta energy: -66.835
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: 311
Temperature: 1.350000
Total energy: -838.851298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.851298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.851298 (E_RNA)
where:
Base-Base interactions energy: -535.549
where: short stacking energy: -249.250
Base-Backbone interact. energy: -2.295
local terms energy: -301.007089
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -80.172
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1952.078512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.078512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.078512 (E_RNA)
where:
Base-Base interactions energy: -1379.459
where: short stacking energy: -559.240
Base-Backbone interact. energy: -3.453
local terms energy: -569.166421
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -123.681
flat angles P-C4'-P energy: -84.212
tors. eta vs tors. theta energy: -151.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1843.315293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.315293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.315293 (E_RNA)
where:
Base-Base interactions energy: -1293.135
where: short stacking energy: -545.232
Base-Backbone interact. energy: -5.227
local terms energy: -544.953225
where:
bonds (distance) C4'-P energy: -95.690
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -124.488
flat angles P-C4'-P energy: -78.882
tors. eta vs tors. theta energy: -143.030
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1770.493785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.493785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.493785 (E_RNA)
where:
Base-Base interactions energy: -1262.361
where: short stacking energy: -524.795
Base-Backbone interact. energy: -3.032
local terms energy: -505.100093
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -81.859
flat angles C4'-P-C4' energy: -115.388
flat angles P-C4'-P energy: -74.428
tors. eta vs tors. theta energy: -134.418
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: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1755.071664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.071664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.071664 (E_RNA)
where:
Base-Base interactions energy: -1240.305
where: short stacking energy: -497.894
Base-Backbone interact. energy: -1.847
local terms energy: -512.919926
where:
bonds (distance) C4'-P energy: -85.995
bonds (distance) P-C4' energy: -91.758
flat angles C4'-P-C4' energy: -126.795
flat angles P-C4'-P energy: -61.134
tors. eta vs tors. theta energy: -147.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1639.862552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.862552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.862552 (E_RNA)
where:
Base-Base interactions energy: -1124.784
where: short stacking energy: -467.209
Base-Backbone interact. energy: 0.277
local terms energy: -515.355694
where:
bonds (distance) C4'-P energy: -90.479
bonds (distance) P-C4' energy: -102.344
flat angles C4'-P-C4' energy: -114.188
flat angles P-C4'-P energy: -74.647
tors. eta vs tors. theta energy: -133.698
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: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1595.061453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.061453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.061453 (E_RNA)
where:
Base-Base interactions energy: -1124.149
where: short stacking energy: -470.107
Base-Backbone interact. energy: -0.719
local terms energy: -470.193853
where:
bonds (distance) C4'-P energy: -92.299
bonds (distance) P-C4' energy: -96.892
flat angles C4'-P-C4' energy: -93.126
flat angles P-C4'-P energy: -71.106
tors. eta vs tors. theta energy: -116.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1378.291271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.291271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.291271 (E_RNA)
where:
Base-Base interactions energy: -944.160
where: short stacking energy: -437.815
Base-Backbone interact. energy: 4.782
local terms energy: -438.913114
where:
bonds (distance) C4'-P energy: -94.843
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -98.145
flat angles P-C4'-P energy: -62.498
tors. eta vs tors. theta energy: -94.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1200.846132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.846132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.846132 (E_RNA)
where:
Base-Base interactions energy: -791.424
where: short stacking energy: -357.669
Base-Backbone interact. energy: -1.350
local terms energy: -408.071304
where:
bonds (distance) C4'-P energy: -71.237
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -99.695
flat angles P-C4'-P energy: -57.501
tors. eta vs tors. theta energy: -86.549
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: 312
Temperature: 1.300000
Total energy: -1058.936490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.936490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.936490 (E_RNA)
where:
Base-Base interactions energy: -710.391
where: short stacking energy: -314.276
Base-Backbone interact. energy: -0.702
local terms energy: -347.843846
where:
bonds (distance) C4'-P energy: -78.938
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -82.426
flat angles P-C4'-P energy: -57.097
tors. eta vs tors. theta energy: -51.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -834.903232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.903232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.903232 (E_RNA)
where:
Base-Base interactions energy: -488.107
where: short stacking energy: -253.369
Base-Backbone interact. energy: 3.651
local terms energy: -350.447203
where:
bonds (distance) C4'-P energy: -73.763
bonds (distance) P-C4' energy: -96.235
flat angles C4'-P-C4' energy: -86.592
flat angles P-C4'-P energy: -59.482
tors. eta vs tors. theta energy: -34.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1931.177627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.177627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.177627 (E_RNA)
where:
Base-Base interactions energy: -1387.800
where: short stacking energy: -559.411
Base-Backbone interact. energy: 1.289
local terms energy: -544.666278
where:
bonds (distance) C4'-P energy: -99.763
bonds (distance) P-C4' energy: -108.757
flat angles C4'-P-C4' energy: -109.049
flat angles P-C4'-P energy: -85.098
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: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1861.609836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.609836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.609836 (E_RNA)
where:
Base-Base interactions energy: -1303.434
where: short stacking energy: -545.483
Base-Backbone interact. energy: -3.706
local terms energy: -554.470076
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -98.056
flat angles C4'-P-C4' energy: -128.649
flat angles P-C4'-P energy: -78.931
tors. eta vs tors. theta energy: -146.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1789.994807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.994807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.994807 (E_RNA)
where:
Base-Base interactions energy: -1255.828
where: short stacking energy: -503.991
Base-Backbone interact. energy: -3.458
local terms energy: -530.709079
where:
bonds (distance) C4'-P energy: -105.144
bonds (distance) P-C4' energy: -101.130
flat angles C4'-P-C4' energy: -103.853
flat angles P-C4'-P energy: -85.612
tors. eta vs tors. theta energy: -134.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1739.450293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.450293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.450293 (E_RNA)
where:
Base-Base interactions energy: -1243.540
where: short stacking energy: -494.186
Base-Backbone interact. energy: -2.541
local terms energy: -493.369679
where:
bonds (distance) C4'-P energy: -88.226
bonds (distance) P-C4' energy: -83.804
flat angles C4'-P-C4' energy: -120.122
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -135.102
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1661.411713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.411713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.411713 (E_RNA)
where:
Base-Base interactions energy: -1150.154
where: short stacking energy: -476.435
Base-Backbone interact. energy: 0.190
local terms energy: -511.447834
where:
bonds (distance) C4'-P energy: -81.059
bonds (distance) P-C4' energy: -102.719
flat angles C4'-P-C4' energy: -118.132
flat angles P-C4'-P energy: -70.843
tors. eta vs tors. theta energy: -138.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1591.641934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.641934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.641934 (E_RNA)
where:
Base-Base interactions energy: -1116.373
where: short stacking energy: -477.026
Base-Backbone interact. energy: -2.205
local terms energy: -473.063921
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -104.790
flat angles P-C4'-P energy: -61.969
tors. eta vs tors. theta energy: -108.432
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: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1360.359367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.359367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.359367 (E_RNA)
where:
Base-Base interactions energy: -937.208
where: short stacking energy: -417.073
Base-Backbone interact. energy: -3.098
local terms energy: -420.053069
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -102.832
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -91.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1171.838086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.838086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.838086 (E_RNA)
where:
Base-Base interactions energy: -751.393
where: short stacking energy: -346.382
Base-Backbone interact. energy: -1.450
local terms energy: -418.995529
where:
bonds (distance) C4'-P energy: -83.069
bonds (distance) P-C4' energy: -79.688
flat angles C4'-P-C4' energy: -92.517
flat angles P-C4'-P energy: -77.492
tors. eta vs tors. theta energy: -86.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1038.328781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.328781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.328781 (E_RNA)
where:
Base-Base interactions energy: -655.754
where: short stacking energy: -287.767
Base-Backbone interact. energy: -1.730
local terms energy: -380.845399
where:
bonds (distance) C4'-P energy: -89.957
bonds (distance) P-C4' energy: -81.118
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -63.427
tors. eta vs tors. theta energy: -53.462
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: 313
Temperature: 1.350000
Total energy: -885.415747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.415747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.415747 (E_RNA)
where:
Base-Base interactions energy: -547.929
where: short stacking energy: -249.874
Base-Backbone interact. energy: -1.099
local terms energy: -336.387398
where:
bonds (distance) C4'-P energy: -78.861
bonds (distance) P-C4' energy: -88.356
flat angles C4'-P-C4' energy: -81.958
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -26.725
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: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1967.363720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.363720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.363720 (E_RNA)
where:
Base-Base interactions energy: -1415.518
where: short stacking energy: -590.946
Base-Backbone interact. energy: -1.512
local terms energy: -550.333418
where:
bonds (distance) C4'-P energy: -93.477
bonds (distance) P-C4' energy: -89.986
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -91.886
tors. eta vs tors. theta energy: -157.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1849.675341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.675341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.675341 (E_RNA)
where:
Base-Base interactions energy: -1297.260
where: short stacking energy: -532.122
Base-Backbone interact. energy: -2.501
local terms energy: -549.914850
where:
bonds (distance) C4'-P energy: -109.391
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -113.956
flat angles P-C4'-P energy: -86.223
tors. eta vs tors. theta energy: -143.623
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: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1781.255503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.255503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.255503 (E_RNA)
where:
Base-Base interactions energy: -1262.572
where: short stacking energy: -522.167
Base-Backbone interact. energy: -4.452
local terms energy: -514.231121
where:
bonds (distance) C4'-P energy: -83.886
bonds (distance) P-C4' energy: -102.823
flat angles C4'-P-C4' energy: -125.069
flat angles P-C4'-P energy: -72.703
tors. eta vs tors. theta energy: -129.750
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1733.696222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.696222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.696222 (E_RNA)
where:
Base-Base interactions energy: -1229.944
where: short stacking energy: -508.424
Base-Backbone interact. energy: 3.937
local terms energy: -507.689703
where:
bonds (distance) C4'-P energy: -91.364
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -108.349
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -143.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1604.588062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.588062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.588062 (E_RNA)
where:
Base-Base interactions energy: -1125.319
where: short stacking energy: -468.075
Base-Backbone interact. energy: -0.803
local terms energy: -478.466170
where:
bonds (distance) C4'-P energy: -81.780
bonds (distance) P-C4' energy: -103.673
flat angles C4'-P-C4' energy: -96.314
flat angles P-C4'-P energy: -74.139
tors. eta vs tors. theta energy: -122.560
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: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1613.882065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.882065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.882065 (E_RNA)
where:
Base-Base interactions energy: -1095.226
where: short stacking energy: -453.551
Base-Backbone interact. energy: -0.436
local terms energy: -518.219418
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -114.924
flat angles P-C4'-P energy: -85.891
tors. eta vs tors. theta energy: -131.507
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1377.774165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.774165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.774165 (E_RNA)
where:
Base-Base interactions energy: -962.690
where: short stacking energy: -396.933
Base-Backbone interact. energy: -3.355
local terms energy: -411.729249
where:
bonds (distance) C4'-P energy: -95.066
bonds (distance) P-C4' energy: -86.470
flat angles C4'-P-C4' energy: -93.124
flat angles P-C4'-P energy: -55.730
tors. eta vs tors. theta energy: -81.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1177.841894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.841894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.841894 (E_RNA)
where:
Base-Base interactions energy: -740.538
where: short stacking energy: -328.134
Base-Backbone interact. energy: -0.278
local terms energy: -437.026351
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -94.791
flat angles C4'-P-C4' energy: -103.107
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: -88.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1007.755450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.755450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.755450 (E_RNA)
where:
Base-Base interactions energy: -654.408
where: short stacking energy: -270.547
Base-Backbone interact. energy: -3.303
local terms energy: -350.043979
where:
bonds (distance) C4'-P energy: -77.794
bonds (distance) P-C4' energy: -85.873
flat angles C4'-P-C4' energy: -98.745
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -36.658
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: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -847.949429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.949429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.949429 (E_RNA)
where:
Base-Base interactions energy: -512.436
where: short stacking energy: -261.062
Base-Backbone interact. energy: -0.641
local terms energy: -334.871947
where:
bonds (distance) C4'-P energy: -75.925
bonds (distance) P-C4' energy: -80.573
flat angles C4'-P-C4' energy: -81.781
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: -51.224
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: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1961.489321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.489321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.489321 (E_RNA)
where:
Base-Base interactions energy: -1391.956
where: short stacking energy: -558.472
Base-Backbone interact. energy: -3.583
local terms energy: -565.950592
where:
bonds (distance) C4'-P energy: -112.307
bonds (distance) P-C4' energy: -106.764
flat angles C4'-P-C4' energy: -117.202
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -152.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1827.376054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.376054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.376054 (E_RNA)
where:
Base-Base interactions energy: -1282.139
where: short stacking energy: -527.342
Base-Backbone interact. energy: -2.593
local terms energy: -542.643650
where:
bonds (distance) C4'-P energy: -92.048
bonds (distance) P-C4' energy: -97.052
flat angles C4'-P-C4' energy: -114.369
flat angles P-C4'-P energy: -92.858
tors. eta vs tors. theta energy: -146.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1791.420927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.420927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.420927 (E_RNA)
where:
Base-Base interactions energy: -1245.459
where: short stacking energy: -517.335
Base-Backbone interact. energy: -2.955
local terms energy: -543.006716
where:
bonds (distance) C4'-P energy: -102.996
bonds (distance) P-C4' energy: -101.222
flat angles C4'-P-C4' energy: -119.117
flat angles P-C4'-P energy: -76.591
tors. eta vs tors. theta energy: -143.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1756.802757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.802757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.802757 (E_RNA)
where:
Base-Base interactions energy: -1250.577
where: short stacking energy: -502.533
Base-Backbone interact. energy: -3.534
local terms energy: -502.692184
where:
bonds (distance) C4'-P energy: -94.838
bonds (distance) P-C4' energy: -100.651
flat angles C4'-P-C4' energy: -106.474
flat angles P-C4'-P energy: -75.266
tors. eta vs tors. theta energy: -125.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1650.449366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.449366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.449366 (E_RNA)
where:
Base-Base interactions energy: -1143.152
where: short stacking energy: -477.793
Base-Backbone interact. energy: -1.502
local terms energy: -505.795422
where:
bonds (distance) C4'-P energy: -97.282
bonds (distance) P-C4' energy: -101.109
flat angles C4'-P-C4' energy: -112.662
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -113.796
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: 315
Temperature: 1.150000
Total energy: -1586.176043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.176043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.176043 (E_RNA)
where:
Base-Base interactions energy: -1098.641
where: short stacking energy: -451.824
Base-Backbone interact. energy: 0.263
local terms energy: -487.798083
where:
bonds (distance) C4'-P energy: -91.590
bonds (distance) P-C4' energy: -92.241
flat angles C4'-P-C4' energy: -112.281
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -129.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1398.245126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.245126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.245126 (E_RNA)
where:
Base-Base interactions energy: -943.467
where: short stacking energy: -402.821
Base-Backbone interact. energy: -0.474
local terms energy: -454.304420
where:
bonds (distance) C4'-P energy: -84.201
bonds (distance) P-C4' energy: -102.400
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -64.958
tors. eta vs tors. theta energy: -99.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1173.816845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.816845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.816845 (E_RNA)
where:
Base-Base interactions energy: -804.604
where: short stacking energy: -348.857
Base-Backbone interact. energy: 2.521
local terms energy: -371.734347
where:
bonds (distance) C4'-P energy: -75.186
bonds (distance) P-C4' energy: -86.758
flat angles C4'-P-C4' energy: -91.367
flat angles P-C4'-P energy: -51.576
tors. eta vs tors. theta energy: -66.848
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: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1022.300136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.300136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.300136 (E_RNA)
where:
Base-Base interactions energy: -670.395
where: short stacking energy: -313.709
Base-Backbone interact. energy: 0.432
local terms energy: -352.336555
where:
bonds (distance) C4'-P energy: -86.694
bonds (distance) P-C4' energy: -72.275
flat angles C4'-P-C4' energy: -93.477
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -59.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -851.075440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.075440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.075440 (E_RNA)
where:
Base-Base interactions energy: -532.970
where: short stacking energy: -250.020
Base-Backbone interact. energy: -1.501
local terms energy: -316.604660
where:
bonds (distance) C4'-P energy: -86.722
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -68.317
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1953.742038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.742038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.742038 (E_RNA)
where:
Base-Base interactions energy: -1404.304
where: short stacking energy: -561.041
Base-Backbone interact. energy: -3.836
local terms energy: -545.601539
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -105.619
flat angles C4'-P-C4' energy: -106.503
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -156.092
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: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1865.741890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.741890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.741890 (E_RNA)
where:
Base-Base interactions energy: -1304.493
where: short stacking energy: -525.479
Base-Backbone interact. energy: -0.641
local terms energy: -560.607603
where:
bonds (distance) C4'-P energy: -102.024
bonds (distance) P-C4' energy: -102.873
flat angles C4'-P-C4' energy: -123.386
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -151.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1783.468608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.468608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.468608 (E_RNA)
where:
Base-Base interactions energy: -1220.287
where: short stacking energy: -535.079
Base-Backbone interact. energy: -2.785
local terms energy: -560.396422
where:
bonds (distance) C4'-P energy: -107.464
bonds (distance) P-C4' energy: -99.988
flat angles C4'-P-C4' energy: -122.059
flat angles P-C4'-P energy: -82.809
tors. eta vs tors. theta energy: -148.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1715.062671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.062671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.062671 (E_RNA)
where:
Base-Base interactions energy: -1206.094
where: short stacking energy: -492.013
Base-Backbone interact. energy: -2.933
local terms energy: -506.035886
where:
bonds (distance) C4'-P energy: -94.842
bonds (distance) P-C4' energy: -108.073
flat angles C4'-P-C4' energy: -110.445
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -132.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1642.535776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.535776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.535776 (E_RNA)
where:
Base-Base interactions energy: -1144.514
where: short stacking energy: -451.810
Base-Backbone interact. energy: -3.480
local terms energy: -494.542334
where:
bonds (distance) C4'-P energy: -90.182
bonds (distance) P-C4' energy: -98.067
flat angles C4'-P-C4' energy: -116.068
flat angles P-C4'-P energy: -81.346
tors. eta vs tors. theta energy: -108.880
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: 316
Temperature: 1.150000
Total energy: -1591.680785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.680785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.680785 (E_RNA)
where:
Base-Base interactions energy: -1101.898
where: short stacking energy: -453.503
Base-Backbone interact. energy: -3.239
local terms energy: -486.544198
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -117.258
flat angles P-C4'-P energy: -67.777
tors. eta vs tors. theta energy: -108.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1396.065029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.065029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.065029 (E_RNA)
where:
Base-Base interactions energy: -963.747
where: short stacking energy: -416.809
Base-Backbone interact. energy: -1.605
local terms energy: -430.713275
where:
bonds (distance) C4'-P energy: -90.053
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -101.083
flat angles P-C4'-P energy: -60.295
tors. eta vs tors. theta energy: -97.645
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1194.368157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.368157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.368157 (E_RNA)
where:
Base-Base interactions energy: -799.820
where: short stacking energy: -345.365
Base-Backbone interact. energy: -2.067
local terms energy: -392.480638
where:
bonds (distance) C4'-P energy: -76.607
bonds (distance) P-C4' energy: -97.993
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -66.610
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: 316
Temperature: 1.300000
Total energy: -1032.285173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.285173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.285173 (E_RNA)
where:
Base-Base interactions energy: -653.475
where: short stacking energy: -306.802
Base-Backbone interact. energy: -1.349
local terms energy: -377.461489
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -97.363
flat angles P-C4'-P energy: -66.303
tors. eta vs tors. theta energy: -55.010
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: 316
Temperature: 1.350000
Total energy: -835.128277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.128277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.128277 (E_RNA)
where:
Base-Base interactions energy: -538.374
where: short stacking energy: -250.648
Base-Backbone interact. energy: 1.531
local terms energy: -298.285387
where:
bonds (distance) C4'-P energy: -78.145
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1968.551750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.551750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.551750 (E_RNA)
where:
Base-Base interactions energy: -1392.677
where: short stacking energy: -559.786
Base-Backbone interact. energy: -1.417
local terms energy: -574.457111
where:
bonds (distance) C4'-P energy: -112.250
bonds (distance) P-C4' energy: -101.938
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -89.702
tors. eta vs tors. theta energy: -149.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1877.616780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.616780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.616780 (E_RNA)
where:
Base-Base interactions energy: -1333.042
where: short stacking energy: -536.469
Base-Backbone interact. energy: -3.152
local terms energy: -541.422990
where:
bonds (distance) C4'-P energy: -100.706
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -110.889
flat angles P-C4'-P energy: -80.476
tors. eta vs tors. theta energy: -148.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1829.855775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.855775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.855775 (E_RNA)
where:
Base-Base interactions energy: -1276.221
where: short stacking energy: -540.973
Base-Backbone interact. energy: -4.603
local terms energy: -549.031710
where:
bonds (distance) C4'-P energy: -107.708
bonds (distance) P-C4' energy: -98.440
flat angles C4'-P-C4' energy: -111.855
flat angles P-C4'-P energy: -85.802
tors. eta vs tors. theta energy: -145.226
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: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1710.988147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.988147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.988147 (E_RNA)
where:
Base-Base interactions energy: -1219.405
where: short stacking energy: -518.301
Base-Backbone interact. energy: -2.729
local terms energy: -488.854186
where:
bonds (distance) C4'-P energy: -85.717
bonds (distance) P-C4' energy: -110.359
flat angles C4'-P-C4' energy: -91.542
flat angles P-C4'-P energy: -68.672
tors. eta vs tors. theta energy: -132.564
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1640.986278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.986278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.986278 (E_RNA)
where:
Base-Base interactions energy: -1139.668
where: short stacking energy: -468.489
Base-Backbone interact. energy: -2.112
local terms energy: -499.206017
where:
bonds (distance) C4'-P energy: -92.794
bonds (distance) P-C4' energy: -100.015
flat angles C4'-P-C4' energy: -116.065
flat angles P-C4'-P energy: -72.815
tors. eta vs tors. theta energy: -117.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1563.647215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.647215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.647215 (E_RNA)
where:
Base-Base interactions energy: -1101.754
where: short stacking energy: -449.405
Base-Backbone interact. energy: -2.219
local terms energy: -459.674530
where:
bonds (distance) C4'-P energy: -79.607
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -101.423
flat angles P-C4'-P energy: -66.389
tors. eta vs tors. theta energy: -119.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1386.670599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.670599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.670599 (E_RNA)
where:
Base-Base interactions energy: -925.478
where: short stacking energy: -402.557
Base-Backbone interact. energy: -4.544
local terms energy: -456.648996
where:
bonds (distance) C4'-P energy: -102.135
bonds (distance) P-C4' energy: -96.392
flat angles C4'-P-C4' energy: -102.827
flat angles P-C4'-P energy: -53.767
tors. eta vs tors. theta energy: -101.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1209.032934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.032934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.032934 (E_RNA)
where:
Base-Base interactions energy: -810.488
where: short stacking energy: -361.037
Base-Backbone interact. energy: -1.673
local terms energy: -396.872684
where:
bonds (distance) C4'-P energy: -80.322
bonds (distance) P-C4' energy: -91.290
flat angles C4'-P-C4' energy: -94.395
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -72.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -995.902382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.902382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.902382 (E_RNA)
where:
Base-Base interactions energy: -629.078
where: short stacking energy: -280.229
Base-Backbone interact. energy: 4.212
local terms energy: -371.035794
where:
bonds (distance) C4'-P energy: -87.545
bonds (distance) P-C4' energy: -95.802
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -42.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -845.521029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.521029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.521029 (E_RNA)
where:
Base-Base interactions energy: -521.440
where: short stacking energy: -232.421
Base-Backbone interact. energy: -0.036
local terms energy: -324.045098
where:
bonds (distance) C4'-P energy: -77.013
bonds (distance) P-C4' energy: -80.325
flat angles C4'-P-C4' energy: -82.575
flat angles P-C4'-P energy: -55.620
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1956.395745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.395745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.395745 (E_RNA)
where:
Base-Base interactions energy: -1365.703
where: short stacking energy: -547.156
Base-Backbone interact. energy: -3.760
local terms energy: -586.932731
where:
bonds (distance) C4'-P energy: -101.289
bonds (distance) P-C4' energy: -126.059
flat angles C4'-P-C4' energy: -117.912
flat angles P-C4'-P energy: -85.205
tors. eta vs tors. theta energy: -156.468
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: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1839.266277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.266277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.266277 (E_RNA)
where:
Base-Base interactions energy: -1312.558
where: short stacking energy: -527.756
Base-Backbone interact. energy: 2.293
local terms energy: -529.001260
where:
bonds (distance) C4'-P energy: -105.631
bonds (distance) P-C4' energy: -95.355
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -92.951
tors. eta vs tors. theta energy: -124.030
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: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1787.728803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.728803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.728803 (E_RNA)
where:
Base-Base interactions energy: -1243.658
where: short stacking energy: -512.995
Base-Backbone interact. energy: 0.199
local terms energy: -544.270165
where:
bonds (distance) C4'-P energy: -108.436
bonds (distance) P-C4' energy: -89.756
flat angles C4'-P-C4' energy: -119.675
flat angles P-C4'-P energy: -84.127
tors. eta vs tors. theta energy: -142.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1710.021880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.021880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.021880 (E_RNA)
where:
Base-Base interactions energy: -1212.548
where: short stacking energy: -512.400
Base-Backbone interact. energy: 4.317
local terms energy: -501.790860
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -103.417
flat angles C4'-P-C4' energy: -107.271
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -132.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1634.830773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.830773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.830773 (E_RNA)
where:
Base-Base interactions energy: -1148.716
where: short stacking energy: -478.055
Base-Backbone interact. energy: -3.283
local terms energy: -482.832516
where:
bonds (distance) C4'-P energy: -76.972
bonds (distance) P-C4' energy: -96.001
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -76.008
tors. eta vs tors. theta energy: -126.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1587.407543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.407543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.407543 (E_RNA)
where:
Base-Base interactions energy: -1119.184
where: short stacking energy: -454.587
Base-Backbone interact. energy: -0.661
local terms energy: -467.562447
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -93.346
flat angles C4'-P-C4' energy: -104.145
flat angles P-C4'-P energy: -62.443
tors. eta vs tors. theta energy: -121.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1438.352418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.352418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.352418 (E_RNA)
where:
Base-Base interactions energy: -975.968
where: short stacking energy: -419.584
Base-Backbone interact. energy: 0.739
local terms energy: -463.122740
where:
bonds (distance) C4'-P energy: -73.507
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -112.154
flat angles P-C4'-P energy: -86.990
tors. eta vs tors. theta energy: -103.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1226.573598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.573598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.573598 (E_RNA)
where:
Base-Base interactions energy: -836.820
where: short stacking energy: -361.658
Base-Backbone interact. energy: -0.917
local terms energy: -388.836200
where:
bonds (distance) C4'-P energy: -74.436
bonds (distance) P-C4' energy: -83.340
flat angles C4'-P-C4' energy: -98.979
flat angles P-C4'-P energy: -57.642
tors. eta vs tors. theta energy: -74.439
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: 318
Temperature: 1.300000
Total energy: -1036.955748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.955748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.955748 (E_RNA)
where:
Base-Base interactions energy: -679.296
where: short stacking energy: -299.361
Base-Backbone interact. energy: 1.272
local terms energy: -358.932301
where:
bonds (distance) C4'-P energy: -79.819
bonds (distance) P-C4' energy: -82.152
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -57.027
tors. eta vs tors. theta energy: -51.243
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: 318
Temperature: 1.350000
Total energy: -755.659397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.659397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.659397 (E_RNA)
where:
Base-Base interactions energy: -424.906
where: short stacking energy: -195.029
Base-Backbone interact. energy: 1.994
local terms energy: -332.747219
where:
bonds (distance) C4'-P energy: -85.001
bonds (distance) P-C4' energy: -95.993
flat angles C4'-P-C4' energy: -87.175
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1960.156826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.156826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.156826 (E_RNA)
where:
Base-Base interactions energy: -1360.142
where: short stacking energy: -552.717
Base-Backbone interact. energy: -2.222
local terms energy: -597.793207
where:
bonds (distance) C4'-P energy: -105.548
bonds (distance) P-C4' energy: -113.268
flat angles C4'-P-C4' energy: -129.157
flat angles P-C4'-P energy: -87.584
tors. eta vs tors. theta energy: -162.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1877.637726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.637726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.637726 (E_RNA)
where:
Base-Base interactions energy: -1324.607
where: short stacking energy: -553.290
Base-Backbone interact. energy: -1.568
local terms energy: -551.462891
where:
bonds (distance) C4'-P energy: -97.368
bonds (distance) P-C4' energy: -104.196
flat angles C4'-P-C4' energy: -121.551
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -150.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1782.984738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.984738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.984738 (E_RNA)
where:
Base-Base interactions energy: -1259.481
where: short stacking energy: -515.261
Base-Backbone interact. energy: -1.796
local terms energy: -521.708393
where:
bonds (distance) C4'-P energy: -85.396
bonds (distance) P-C4' energy: -100.192
flat angles C4'-P-C4' energy: -123.761
flat angles P-C4'-P energy: -70.382
tors. eta vs tors. theta energy: -141.978
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: 319
Temperature: 1.050000
Total energy: -1738.136404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.136404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.136404 (E_RNA)
where:
Base-Base interactions energy: -1195.439
where: short stacking energy: -489.287
Base-Backbone interact. energy: 1.053
local terms energy: -543.749881
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -124.309
flat angles P-C4'-P energy: -73.699
tors. eta vs tors. theta energy: -132.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1655.280304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.280304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.280304 (E_RNA)
where:
Base-Base interactions energy: -1140.933
where: short stacking energy: -478.604
Base-Backbone interact. energy: 0.096
local terms energy: -514.442534
where:
bonds (distance) C4'-P energy: -95.090
bonds (distance) P-C4' energy: -111.677
flat angles C4'-P-C4' energy: -108.682
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -126.959
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: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1582.157781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.157781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.157781 (E_RNA)
where:
Base-Base interactions energy: -1091.355
where: short stacking energy: -446.176
Base-Backbone interact. energy: -0.684
local terms energy: -490.118280
where:
bonds (distance) C4'-P energy: -79.892
bonds (distance) P-C4' energy: -105.821
flat angles C4'-P-C4' energy: -107.982
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -116.932
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: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1447.730314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.730314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.730314 (E_RNA)
where:
Base-Base interactions energy: -992.746
where: short stacking energy: -430.796
Base-Backbone interact. energy: 0.950
local terms energy: -455.934015
where:
bonds (distance) C4'-P energy: -92.460
bonds (distance) P-C4' energy: -96.733
flat angles C4'-P-C4' energy: -111.237
flat angles P-C4'-P energy: -63.917
tors. eta vs tors. theta energy: -91.587
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: 319
Temperature: 1.250000
Total energy: -1187.239973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.239973 (E_RNA)
where:
Base-Base interactions energy: -769.610
where: short stacking energy: -343.013
Base-Backbone interact. energy: 1.173
local terms energy: -418.802951
where:
bonds (distance) C4'-P energy: -85.788
bonds (distance) P-C4' energy: -99.627
flat angles C4'-P-C4' energy: -92.053
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -88.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1119.199923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.199923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.199923 (E_RNA)
where:
Base-Base interactions energy: -721.831
where: short stacking energy: -322.741
Base-Backbone interact. energy: -0.946
local terms energy: -396.422479
where:
bonds (distance) C4'-P energy: -96.774
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -80.215
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -83.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -838.521326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.521326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.521326 (E_RNA)
where:
Base-Base interactions energy: -510.532
where: short stacking energy: -232.306
Base-Backbone interact. energy: 8.897
local terms energy: -336.885425
where:
bonds (distance) C4'-P energy: -80.654
bonds (distance) P-C4' energy: -89.271
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -64.454
tors. eta vs tors. theta energy: -32.110
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: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1944.419518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.419518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.419518 (E_RNA)
where:
Base-Base interactions energy: -1366.840
where: short stacking energy: -567.414
Base-Backbone interact. energy: -0.470
local terms energy: -577.110178
where:
bonds (distance) C4'-P energy: -105.655
bonds (distance) P-C4' energy: -118.116
flat angles C4'-P-C4' energy: -121.205
flat angles P-C4'-P energy: -73.906
tors. eta vs tors. theta energy: -158.228
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: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1874.192058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.192058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.192058 (E_RNA)
where:
Base-Base interactions energy: -1302.507
where: short stacking energy: -544.893
Base-Backbone interact. energy: -3.349
local terms energy: -568.335899
where:
bonds (distance) C4'-P energy: -114.942
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -79.820
tors. eta vs tors. theta energy: -145.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1822.387972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.387972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.387972 (E_RNA)
where:
Base-Base interactions energy: -1267.280
where: short stacking energy: -530.238
Base-Backbone interact. energy: -0.895
local terms energy: -554.213169
where:
bonds (distance) C4'-P energy: -101.219
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -117.457
flat angles P-C4'-P energy: -68.909
tors. eta vs tors. theta energy: -154.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1707.125303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.125303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.125303 (E_RNA)
where:
Base-Base interactions energy: -1192.421
where: short stacking energy: -479.345
Base-Backbone interact. energy: -2.243
local terms energy: -512.461869
where:
bonds (distance) C4'-P energy: -91.073
bonds (distance) P-C4' energy: -102.999
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -130.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1580.923787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.923787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.923787 (E_RNA)
where:
Base-Base interactions energy: -1085.261
where: short stacking energy: -439.814
Base-Backbone interact. energy: -1.991
local terms energy: -493.671830
where:
bonds (distance) C4'-P energy: -101.083
bonds (distance) P-C4' energy: -98.282
flat angles C4'-P-C4' energy: -111.289
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -114.548
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: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1581.325501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.325501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.325501 (E_RNA)
where:
Base-Base interactions energy: -1094.080
where: short stacking energy: -446.113
Base-Backbone interact. energy: -5.152
local terms energy: -482.093771
where:
bonds (distance) C4'-P energy: -89.318
bonds (distance) P-C4' energy: -94.828
flat angles C4'-P-C4' energy: -105.137
flat angles P-C4'-P energy: -73.492
tors. eta vs tors. theta energy: -119.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1383.122070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.122070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.122070 (E_RNA)
where:
Base-Base interactions energy: -950.441
where: short stacking energy: -389.388
Base-Backbone interact. energy: -2.670
local terms energy: -430.011084
where:
bonds (distance) C4'-P energy: -83.610
bonds (distance) P-C4' energy: -91.979
flat angles C4'-P-C4' energy: -93.571
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -98.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1207.991714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.991714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.991714 (E_RNA)
where:
Base-Base interactions energy: -788.366
where: short stacking energy: -339.371
Base-Backbone interact. energy: -0.337
local terms energy: -419.288920
where:
bonds (distance) C4'-P energy: -89.382
bonds (distance) P-C4' energy: -93.676
flat angles C4'-P-C4' energy: -95.021
flat angles P-C4'-P energy: -64.612
tors. eta vs tors. theta energy: -76.598
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: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1047.032438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.032438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.032438 (E_RNA)
where:
Base-Base interactions energy: -676.515
where: short stacking energy: -297.587
Base-Backbone interact. energy: 3.170
local terms energy: -373.687567
where:
bonds (distance) C4'-P energy: -98.978
bonds (distance) P-C4' energy: -89.116
flat angles C4'-P-C4' energy: -96.243
flat angles P-C4'-P energy: -28.263
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: 320
Temperature: 1.350000
Total energy: -835.100382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.100382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.100382 (E_RNA)
where:
Base-Base interactions energy: -483.746
where: short stacking energy: -230.847
Base-Backbone interact. energy: 4.015
local terms energy: -355.368993
where:
bonds (distance) C4'-P energy: -72.054
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -83.215
flat angles P-C4'-P energy: -62.622
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1960.901623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.901623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.901623 (E_RNA)
where:
Base-Base interactions energy: -1393.311
where: short stacking energy: -556.500
Base-Backbone interact. energy: -6.614
local terms energy: -560.977564
where:
bonds (distance) C4'-P energy: -106.222
bonds (distance) P-C4' energy: -104.318
flat angles C4'-P-C4' energy: -116.652
flat angles P-C4'-P energy: -77.903
tors. eta vs tors. theta energy: -155.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1893.370434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.370434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.370434 (E_RNA)
where:
Base-Base interactions energy: -1332.724
where: short stacking energy: -524.818
Base-Backbone interact. energy: -4.279
local terms energy: -556.367280
where:
bonds (distance) C4'-P energy: -109.301
bonds (distance) P-C4' energy: -106.268
flat angles C4'-P-C4' energy: -116.839
flat angles P-C4'-P energy: -79.659
tors. eta vs tors. theta energy: -144.299
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: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1779.610801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.610801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.610801 (E_RNA)
where:
Base-Base interactions energy: -1244.759
where: short stacking energy: -511.292
Base-Backbone interact. energy: -0.256
local terms energy: -534.595734
where:
bonds (distance) C4'-P energy: -91.809
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -108.330
flat angles P-C4'-P energy: -83.395
tors. eta vs tors. theta energy: -137.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1734.630461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.630461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.630461 (E_RNA)
where:
Base-Base interactions energy: -1205.504
where: short stacking energy: -507.758
Base-Backbone interact. energy: -3.106
local terms energy: -526.019763
where:
bonds (distance) C4'-P energy: -89.335
bonds (distance) P-C4' energy: -100.895
flat angles C4'-P-C4' energy: -116.286
flat angles P-C4'-P energy: -84.617
tors. eta vs tors. theta energy: -134.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1602.732382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.732382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.732382 (E_RNA)
where:
Base-Base interactions energy: -1113.878
where: short stacking energy: -442.344
Base-Backbone interact. energy: -1.888
local terms energy: -486.966789
where:
bonds (distance) C4'-P energy: -90.706
bonds (distance) P-C4' energy: -90.889
flat angles C4'-P-C4' energy: -114.121
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -116.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1579.779125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.779125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.779125 (E_RNA)
where:
Base-Base interactions energy: -1092.540
where: short stacking energy: -459.490
Base-Backbone interact. energy: -3.270
local terms energy: -483.969287
where:
bonds (distance) C4'-P energy: -91.068
bonds (distance) P-C4' energy: -104.047
flat angles C4'-P-C4' energy: -104.829
flat angles P-C4'-P energy: -67.129
tors. eta vs tors. theta energy: -116.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1388.975745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.975745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.975745 (E_RNA)
where:
Base-Base interactions energy: -960.848
where: short stacking energy: -414.543
Base-Backbone interact. energy: -1.070
local terms energy: -427.057850
where:
bonds (distance) C4'-P energy: -86.896
bonds (distance) P-C4' energy: -88.439
flat angles C4'-P-C4' energy: -91.293
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -94.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1232.785168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.785168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.785168 (E_RNA)
where:
Base-Base interactions energy: -801.493
where: short stacking energy: -389.385
Base-Backbone interact. energy: -2.420
local terms energy: -428.872577
where:
bonds (distance) C4'-P energy: -81.434
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -97.070
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -93.781
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: 321
Temperature: 1.300000
Total energy: -1037.321195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.321195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.321195 (E_RNA)
where:
Base-Base interactions energy: -679.386
where: short stacking energy: -278.960
Base-Backbone interact. energy: 4.774
local terms energy: -362.709151
where:
bonds (distance) C4'-P energy: -87.611
bonds (distance) P-C4' energy: -92.137
flat angles C4'-P-C4' energy: -74.756
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -44.040
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: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -836.124251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.124251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.124251 (E_RNA)
where:
Base-Base interactions energy: -505.846
where: short stacking energy: -259.163
Base-Backbone interact. energy: 1.780
local terms energy: -332.058200
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -78.284
flat angles C4'-P-C4' energy: -85.917
flat angles P-C4'-P energy: -58.290
tors. eta vs tors. theta energy: -33.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1932.907261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.907261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.907261 (E_RNA)
where:
Base-Base interactions energy: -1370.842
where: short stacking energy: -551.919
Base-Backbone interact. energy: 1.122
local terms energy: -563.186779
where:
bonds (distance) C4'-P energy: -106.175
bonds (distance) P-C4' energy: -109.158
flat angles C4'-P-C4' energy: -118.652
flat angles P-C4'-P energy: -78.691
tors. eta vs tors. theta energy: -150.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1871.529498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.529498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.529498 (E_RNA)
where:
Base-Base interactions energy: -1320.797
where: short stacking energy: -540.108
Base-Backbone interact. energy: -1.870
local terms energy: -548.862276
where:
bonds (distance) C4'-P energy: -108.775
bonds (distance) P-C4' energy: -97.024
flat angles C4'-P-C4' energy: -119.871
flat angles P-C4'-P energy: -79.006
tors. eta vs tors. theta energy: -144.185
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: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1791.001440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.001440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.001440 (E_RNA)
where:
Base-Base interactions energy: -1234.655
where: short stacking energy: -509.871
Base-Backbone interact. energy: -0.214
local terms energy: -556.132500
where:
bonds (distance) C4'-P energy: -113.383
bonds (distance) P-C4' energy: -101.122
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -82.614
tors. eta vs tors. theta energy: -135.045
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: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1728.247014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.247014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.247014 (E_RNA)
where:
Base-Base interactions energy: -1190.659
where: short stacking energy: -490.974
Base-Backbone interact. energy: -1.066
local terms energy: -536.522004
where:
bonds (distance) C4'-P energy: -104.690
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -117.389
flat angles P-C4'-P energy: -78.503
tors. eta vs tors. theta energy: -131.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1627.638968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.638968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.638968 (E_RNA)
where:
Base-Base interactions energy: -1134.521
where: short stacking energy: -481.660
Base-Backbone interact. energy: -3.401
local terms energy: -489.717026
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -90.980
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -82.125
tors. eta vs tors. theta energy: -120.101
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1589.151336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.151336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.151336 (E_RNA)
where:
Base-Base interactions energy: -1098.651
where: short stacking energy: -469.008
Base-Backbone interact. energy: -0.116
local terms energy: -490.383978
where:
bonds (distance) C4'-P energy: -100.316
bonds (distance) P-C4' energy: -80.454
flat angles C4'-P-C4' energy: -109.501
flat angles P-C4'-P energy: -79.987
tors. eta vs tors. theta energy: -120.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1407.269452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.269452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.269452 (E_RNA)
where:
Base-Base interactions energy: -982.126
where: short stacking energy: -412.858
Base-Backbone interact. energy: 3.490
local terms energy: -428.633055
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -91.441
flat angles C4'-P-C4' energy: -85.177
flat angles P-C4'-P energy: -60.490
tors. eta vs tors. theta energy: -107.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1192.984527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.984527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.984527 (E_RNA)
where:
Base-Base interactions energy: -789.982
where: short stacking energy: -340.707
Base-Backbone interact. energy: -3.628
local terms energy: -399.374313
where:
bonds (distance) C4'-P energy: -90.988
bonds (distance) P-C4' energy: -79.549
flat angles C4'-P-C4' energy: -95.000
flat angles P-C4'-P energy: -62.660
tors. eta vs tors. theta energy: -71.178
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: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1076.334939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.334939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.334939 (E_RNA)
where:
Base-Base interactions energy: -686.082
where: short stacking energy: -314.593
Base-Backbone interact. energy: -0.058
local terms energy: -390.194364
where:
bonds (distance) C4'-P energy: -90.431
bonds (distance) P-C4' energy: -89.922
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -64.704
tors. eta vs tors. theta energy: -60.314
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: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -826.725005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.725005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.725005 (E_RNA)
where:
Base-Base interactions energy: -500.255
where: short stacking energy: -243.509
Base-Backbone interact. energy: 0.868
local terms energy: -327.338582
where:
bonds (distance) C4'-P energy: -72.155
bonds (distance) P-C4' energy: -81.152
flat angles C4'-P-C4' energy: -79.659
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -28.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1973.565459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.565459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.565459 (E_RNA)
where:
Base-Base interactions energy: -1389.161
where: short stacking energy: -567.041
Base-Backbone interact. energy: -2.903
local terms energy: -581.501445
where:
bonds (distance) C4'-P energy: -101.947
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -132.399
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -163.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1866.140538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.140538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.140538 (E_RNA)
where:
Base-Base interactions energy: -1318.339
where: short stacking energy: -565.996
Base-Backbone interact. energy: -3.930
local terms energy: -543.871349
where:
bonds (distance) C4'-P energy: -91.707
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -124.609
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -151.282
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: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1778.502664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.502664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.502664 (E_RNA)
where:
Base-Base interactions energy: -1248.738
where: short stacking energy: -507.176
Base-Backbone interact. energy: -0.048
local terms energy: -529.716771
where:
bonds (distance) C4'-P energy: -97.429
bonds (distance) P-C4' energy: -105.381
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -68.028
tors. eta vs tors. theta energy: -141.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1739.334501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.334501 (E_RNA)
where:
Base-Base interactions energy: -1201.018
where: short stacking energy: -506.972
Base-Backbone interact. energy: 0.861
local terms energy: -539.177346
where:
bonds (distance) C4'-P energy: -109.877
bonds (distance) P-C4' energy: -113.019
flat angles C4'-P-C4' energy: -111.417
flat angles P-C4'-P energy: -67.624
tors. eta vs tors. theta energy: -137.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1633.155852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.155852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.155852 (E_RNA)
where:
Base-Base interactions energy: -1127.481
where: short stacking energy: -461.475
Base-Backbone interact. energy: -4.137
local terms energy: -501.537886
where:
bonds (distance) C4'-P energy: -90.319
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -108.570
flat angles P-C4'-P energy: -85.965
tors. eta vs tors. theta energy: -116.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1613.223342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.223342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.223342 (E_RNA)
where:
Base-Base interactions energy: -1129.706
where: short stacking energy: -462.730
Base-Backbone interact. energy: 0.456
local terms energy: -483.974168
where:
bonds (distance) C4'-P energy: -91.833
bonds (distance) P-C4' energy: -95.227
flat angles C4'-P-C4' energy: -111.144
flat angles P-C4'-P energy: -81.561
tors. eta vs tors. theta energy: -104.209
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1404.869517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.869517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.869517 (E_RNA)
where:
Base-Base interactions energy: -972.102
where: short stacking energy: -425.564
Base-Backbone interact. energy: -0.654
local terms energy: -432.114344
where:
bonds (distance) C4'-P energy: -88.683
bonds (distance) P-C4' energy: -88.298
flat angles C4'-P-C4' energy: -101.810
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: -95.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1213.232326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.232326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.232326 (E_RNA)
where:
Base-Base interactions energy: -808.631
where: short stacking energy: -347.942
Base-Backbone interact. energy: -0.091
local terms energy: -404.509996
where:
bonds (distance) C4'-P energy: -89.396
bonds (distance) P-C4' energy: -79.035
flat angles C4'-P-C4' energy: -97.066
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: -80.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -971.313252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.313252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.313252 (E_RNA)
where:
Base-Base interactions energy: -614.478
where: short stacking energy: -275.304
Base-Backbone interact. energy: -1.899
local terms energy: -354.936400
where:
bonds (distance) C4'-P energy: -79.291
bonds (distance) P-C4' energy: -97.237
flat angles C4'-P-C4' energy: -90.833
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -47.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -851.461598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.461598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.461598 (E_RNA)
where:
Base-Base interactions energy: -509.203
where: short stacking energy: -243.209
Base-Backbone interact. energy: 5.207
local terms energy: -347.465595
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -84.128
flat angles C4'-P-C4' energy: -93.816
flat angles P-C4'-P energy: -53.858
tors. eta vs tors. theta energy: -35.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1937.750831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.750831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.750831 (E_RNA)
where:
Base-Base interactions energy: -1378.546
where: short stacking energy: -541.135
Base-Backbone interact. energy: -2.597
local terms energy: -556.608472
where:
bonds (distance) C4'-P energy: -112.390
bonds (distance) P-C4' energy: -105.303
flat angles C4'-P-C4' energy: -121.497
flat angles P-C4'-P energy: -71.727
tors. eta vs tors. theta energy: -145.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1866.261355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.261355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.261355 (E_RNA)
where:
Base-Base interactions energy: -1317.357
where: short stacking energy: -543.898
Base-Backbone interact. energy: 1.051
local terms energy: -549.956002
where:
bonds (distance) C4'-P energy: -100.753
bonds (distance) P-C4' energy: -96.817
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -148.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1808.684065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.684065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.684065 (E_RNA)
where:
Base-Base interactions energy: -1278.333
where: short stacking energy: -523.176
Base-Backbone interact. energy: 0.725
local terms energy: -531.076536
where:
bonds (distance) C4'-P energy: -96.122
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -112.768
flat angles P-C4'-P energy: -66.459
tors. eta vs tors. theta energy: -139.582
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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1724.364905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.364905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.364905 (E_RNA)
where:
Base-Base interactions energy: -1200.218
where: short stacking energy: -459.177
Base-Backbone interact. energy: 1.659
local terms energy: -525.806195
where:
bonds (distance) C4'-P energy: -91.147
bonds (distance) P-C4' energy: -102.461
flat angles C4'-P-C4' energy: -121.672
flat angles P-C4'-P energy: -86.932
tors. eta vs tors. theta energy: -123.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1636.389431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.389431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.389431 (E_RNA)
where:
Base-Base interactions energy: -1149.239
where: short stacking energy: -483.131
Base-Backbone interact. energy: -2.613
local terms energy: -484.536702
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -93.451
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -132.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1569.476881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.476881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.476881 (E_RNA)
where:
Base-Base interactions energy: -1061.692
where: short stacking energy: -445.130
Base-Backbone interact. energy: -2.299
local terms energy: -505.486828
where:
bonds (distance) C4'-P energy: -106.701
bonds (distance) P-C4' energy: -105.807
flat angles C4'-P-C4' energy: -117.240
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: -110.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1346.637630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.637630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.637630 (E_RNA)
where:
Base-Base interactions energy: -921.137
where: short stacking energy: -400.044
Base-Backbone interact. energy: 4.319
local terms energy: -429.819935
where:
bonds (distance) C4'-P energy: -97.970
bonds (distance) P-C4' energy: -75.394
flat angles C4'-P-C4' energy: -82.426
flat angles P-C4'-P energy: -68.046
tors. eta vs tors. theta energy: -105.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1222.781138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.781138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.781138 (E_RNA)
where:
Base-Base interactions energy: -803.220
where: short stacking energy: -357.605
Base-Backbone interact. energy: -0.951
local terms energy: -418.610099
where:
bonds (distance) C4'-P energy: -86.563
bonds (distance) P-C4' energy: -103.759
flat angles C4'-P-C4' energy: -93.734
flat angles P-C4'-P energy: -60.418
tors. eta vs tors. theta energy: -74.137
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: 324
Temperature: 1.300000
Total energy: -1036.192979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.192979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.192979 (E_RNA)
where:
Base-Base interactions energy: -680.510
where: short stacking energy: -303.837
Base-Backbone interact. energy: -2.219
local terms energy: -353.463647
where:
bonds (distance) C4'-P energy: -90.771
bonds (distance) P-C4' energy: -69.068
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -64.195
tors. eta vs tors. theta energy: -58.359
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: 324
Temperature: 1.350000
Total energy: -877.947282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.947282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.947282 (E_RNA)
where:
Base-Base interactions energy: -553.630
where: short stacking energy: -258.544
Base-Backbone interact. energy: 2.218
local terms energy: -326.534410
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -80.032
flat angles C4'-P-C4' energy: -67.249
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1931.533147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.533147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.533147 (E_RNA)
where:
Base-Base interactions energy: -1384.399
where: short stacking energy: -553.521
Base-Backbone interact. energy: -2.406
local terms energy: -544.727984
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -95.004
flat angles C4'-P-C4' energy: -121.455
flat angles P-C4'-P energy: -84.852
tors. eta vs tors. theta energy: -144.395
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1827.651500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.651500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.651500 (E_RNA)
where:
Base-Base interactions energy: -1274.057
where: short stacking energy: -513.143
Base-Backbone interact. energy: -2.973
local terms energy: -550.621641
where:
bonds (distance) C4'-P energy: -102.249
bonds (distance) P-C4' energy: -113.433
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -80.883
tors. eta vs tors. theta energy: -144.386
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: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1796.773281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.773281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.773281 (E_RNA)
where:
Base-Base interactions energy: -1253.575
where: short stacking energy: -517.233
Base-Backbone interact. energy: -0.902
local terms energy: -542.295759
where:
bonds (distance) C4'-P energy: -106.331
bonds (distance) P-C4' energy: -102.313
flat angles C4'-P-C4' energy: -110.539
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -141.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1733.323130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.323130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.323130 (E_RNA)
where:
Base-Base interactions energy: -1237.713
where: short stacking energy: -490.006
Base-Backbone interact. energy: -0.982
local terms energy: -494.628602
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -84.919
flat angles C4'-P-C4' energy: -112.193
flat angles P-C4'-P energy: -80.327
tors. eta vs tors. theta energy: -127.636
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: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1630.117284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.117284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.117284 (E_RNA)
where:
Base-Base interactions energy: -1131.938
where: short stacking energy: -483.516
Base-Backbone interact. energy: -3.210
local terms energy: -494.969449
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -89.228
flat angles C4'-P-C4' energy: -108.053
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -127.803
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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1586.310442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.310442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.310442 (E_RNA)
where:
Base-Base interactions energy: -1141.249
where: short stacking energy: -460.744
Base-Backbone interact. energy: -0.350
local terms energy: -444.711786
where:
bonds (distance) C4'-P energy: -86.227
bonds (distance) P-C4' energy: -99.475
flat angles C4'-P-C4' energy: -93.073
flat angles P-C4'-P energy: -57.643
tors. eta vs tors. theta energy: -108.294
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: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1369.103479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.103479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.103479 (E_RNA)
where:
Base-Base interactions energy: -936.364
where: short stacking energy: -405.146
Base-Backbone interact. energy: -1.910
local terms energy: -430.830020
where:
bonds (distance) C4'-P energy: -90.254
bonds (distance) P-C4' energy: -94.590
flat angles C4'-P-C4' energy: -90.735
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -98.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1232.939490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.939490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.939490 (E_RNA)
where:
Base-Base interactions energy: -850.353
where: short stacking energy: -381.814
Base-Backbone interact. energy: 2.700
local terms energy: -385.286582
where:
bonds (distance) C4'-P energy: -76.369
bonds (distance) P-C4' energy: -77.295
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -49.279
tors. eta vs tors. theta energy: -84.939
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: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1034.202259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.202259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.202259 (E_RNA)
where:
Base-Base interactions energy: -654.086
where: short stacking energy: -292.910
Base-Backbone interact. energy: -0.954
local terms energy: -379.162146
where:
bonds (distance) C4'-P energy: -92.956
bonds (distance) P-C4' energy: -81.869
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -56.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -852.660897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.660897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.660897 (E_RNA)
where:
Base-Base interactions energy: -547.309
where: short stacking energy: -249.819
Base-Backbone interact. energy: 1.588
local terms energy: -306.939475
where:
bonds (distance) C4'-P energy: -65.129
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -66.549
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -34.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1959.731624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.731624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.731624 (E_RNA)
where:
Base-Base interactions energy: -1386.509
where: short stacking energy: -555.067
Base-Backbone interact. energy: -2.967
local terms energy: -570.255801
where:
bonds (distance) C4'-P energy: -105.240
bonds (distance) P-C4' energy: -108.480
flat angles C4'-P-C4' energy: -125.378
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: -158.564
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: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1813.957354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.957354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.957354 (E_RNA)
where:
Base-Base interactions energy: -1277.399
where: short stacking energy: -524.794
Base-Backbone interact. energy: -1.917
local terms energy: -534.641328
where:
bonds (distance) C4'-P energy: -93.234
bonds (distance) P-C4' energy: -103.335
flat angles C4'-P-C4' energy: -117.297
flat angles P-C4'-P energy: -78.479
tors. eta vs tors. theta energy: -142.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1766.894083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.894083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.894083 (E_RNA)
where:
Base-Base interactions energy: -1246.974
where: short stacking energy: -515.370
Base-Backbone interact. energy: -1.191
local terms energy: -518.729413
where:
bonds (distance) C4'-P energy: -104.209
bonds (distance) P-C4' energy: -100.702
flat angles C4'-P-C4' energy: -110.336
flat angles P-C4'-P energy: -73.910
tors. eta vs tors. theta energy: -129.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1769.373696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.373696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.373696 (E_RNA)
where:
Base-Base interactions energy: -1240.415
where: short stacking energy: -505.667
Base-Backbone interact. energy: 0.057
local terms energy: -529.016073
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -111.776
flat angles P-C4'-P energy: -75.109
tors. eta vs tors. theta energy: -134.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1588.429916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.429916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.429916 (E_RNA)
where:
Base-Base interactions energy: -1113.428
where: short stacking energy: -480.603
Base-Backbone interact. energy: 0.925
local terms energy: -475.927088
where:
bonds (distance) C4'-P energy: -106.658
bonds (distance) P-C4' energy: -75.482
flat angles C4'-P-C4' energy: -106.196
flat angles P-C4'-P energy: -75.103
tors. eta vs tors. theta energy: -112.488
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: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1607.912135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.912135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.912135 (E_RNA)
where:
Base-Base interactions energy: -1128.103
where: short stacking energy: -467.014
Base-Backbone interact. energy: -1.570
local terms energy: -478.238956
where:
bonds (distance) C4'-P energy: -80.914
bonds (distance) P-C4' energy: -84.838
flat angles C4'-P-C4' energy: -107.063
flat angles P-C4'-P energy: -84.005
tors. eta vs tors. theta energy: -121.419
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: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1372.586379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.586379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.586379 (E_RNA)
where:
Base-Base interactions energy: -959.118
where: short stacking energy: -408.508
Base-Backbone interact. energy: 3.173
local terms energy: -416.642137
where:
bonds (distance) C4'-P energy: -86.212
bonds (distance) P-C4' energy: -80.070
flat angles C4'-P-C4' energy: -81.648
flat angles P-C4'-P energy: -69.147
tors. eta vs tors. theta energy: -99.565
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: 326
Temperature: 1.250000
Total energy: -1284.141317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.141317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.141317 (E_RNA)
where:
Base-Base interactions energy: -867.074
where: short stacking energy: -362.737
Base-Backbone interact. energy: 0.397
local terms energy: -417.464864
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -95.399
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -75.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1025.294404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.294404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.294404 (E_RNA)
where:
Base-Base interactions energy: -677.843
where: short stacking energy: -301.555
Base-Backbone interact. energy: -1.820
local terms energy: -345.631099
where:
bonds (distance) C4'-P energy: -74.899
bonds (distance) P-C4' energy: -85.323
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -58.867
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -828.543647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.543647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.543647 (E_RNA)
where:
Base-Base interactions energy: -513.831
where: short stacking energy: -226.673
Base-Backbone interact. energy: 1.838
local terms energy: -316.550317
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -84.253
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -20.888
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: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1944.654878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.654878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.654878 (E_RNA)
where:
Base-Base interactions energy: -1367.009
where: short stacking energy: -570.931
Base-Backbone interact. energy: -4.307
local terms energy: -573.338292
where:
bonds (distance) C4'-P energy: -105.098
bonds (distance) P-C4' energy: -105.379
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -80.711
tors. eta vs tors. theta energy: -161.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1828.960541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.960541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.960541 (E_RNA)
where:
Base-Base interactions energy: -1296.043
where: short stacking energy: -531.375
Base-Backbone interact. energy: 0.676
local terms energy: -533.593682
where:
bonds (distance) C4'-P energy: -80.286
bonds (distance) P-C4' energy: -111.758
flat angles C4'-P-C4' energy: -118.436
flat angles P-C4'-P energy: -82.905
tors. eta vs tors. theta energy: -140.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1779.684775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.684775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.684775 (E_RNA)
where:
Base-Base interactions energy: -1232.160
where: short stacking energy: -540.040
Base-Backbone interact. energy: 2.047
local terms energy: -549.571548
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -128.563
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -142.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1732.990216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.990216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.990216 (E_RNA)
where:
Base-Base interactions energy: -1215.701
where: short stacking energy: -502.812
Base-Backbone interact. energy: 0.235
local terms energy: -517.524055
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -90.486
flat angles C4'-P-C4' energy: -114.686
flat angles P-C4'-P energy: -65.478
tors. eta vs tors. theta energy: -151.387
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: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1579.309429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.309429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.309429 (E_RNA)
where:
Base-Base interactions energy: -1068.123
where: short stacking energy: -449.426
Base-Backbone interact. energy: -0.464
local terms energy: -510.721793
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -114.762
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -120.962
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: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1564.191271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.191271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.191271 (E_RNA)
where:
Base-Base interactions energy: -1083.237
where: short stacking energy: -436.300
Base-Backbone interact. energy: -1.443
local terms energy: -479.511134
where:
bonds (distance) C4'-P energy: -103.260
bonds (distance) P-C4' energy: -84.567
flat angles C4'-P-C4' energy: -103.815
flat angles P-C4'-P energy: -73.108
tors. eta vs tors. theta energy: -114.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1407.026207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.026207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.026207 (E_RNA)
where:
Base-Base interactions energy: -968.142
where: short stacking energy: -398.927
Base-Backbone interact. energy: -2.632
local terms energy: -436.251833
where:
bonds (distance) C4'-P energy: -97.868
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -87.725
flat angles P-C4'-P energy: -72.862
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1248.228945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.228945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.228945 (E_RNA)
where:
Base-Base interactions energy: -839.213
where: short stacking energy: -372.248
Base-Backbone interact. energy: -1.284
local terms energy: -407.731892
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -88.480
flat angles C4'-P-C4' energy: -87.438
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: -88.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1032.464957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.464957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.464957 (E_RNA)
where:
Base-Base interactions energy: -638.836
where: short stacking energy: -261.817
Base-Backbone interact. energy: 3.068
local terms energy: -396.697176
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -104.825
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -52.584
tors. eta vs tors. theta energy: -39.329
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: 327
Temperature: 1.350000
Total energy: -833.474439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.474439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.474439 (E_RNA)
where:
Base-Base interactions energy: -485.430
where: short stacking energy: -248.086
Base-Backbone interact. energy: 1.641
local terms energy: -349.685679
where:
bonds (distance) C4'-P energy: -96.309
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -76.688
flat angles P-C4'-P energy: -63.697
tors. eta vs tors. theta energy: -29.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1966.934530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.934530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.934530 (E_RNA)
where:
Base-Base interactions energy: -1364.093
where: short stacking energy: -566.770
Base-Backbone interact. energy: -5.253
local terms energy: -597.589231
where:
bonds (distance) C4'-P energy: -111.508
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -128.776
flat angles P-C4'-P energy: -87.202
tors. eta vs tors. theta energy: -158.816
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: 328
Temperature: 0.950000
Total energy: -1824.603868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.603868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.603868 (E_RNA)
where:
Base-Base interactions energy: -1267.667
where: short stacking energy: -531.334
Base-Backbone interact. energy: -0.242
local terms energy: -556.695195
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -112.177
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -147.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1752.782401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.782401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.782401 (E_RNA)
where:
Base-Base interactions energy: -1219.541
where: short stacking energy: -482.083
Base-Backbone interact. energy: 0.183
local terms energy: -533.424901
where:
bonds (distance) C4'-P energy: -99.138
bonds (distance) P-C4' energy: -101.499
flat angles C4'-P-C4' energy: -115.168
flat angles P-C4'-P energy: -78.010
tors. eta vs tors. theta energy: -139.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1713.042196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.042196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.042196 (E_RNA)
where:
Base-Base interactions energy: -1220.839
where: short stacking energy: -507.435
Base-Backbone interact. energy: 3.274
local terms energy: -495.477026
where:
bonds (distance) C4'-P energy: -92.352
bonds (distance) P-C4' energy: -107.405
flat angles C4'-P-C4' energy: -107.924
flat angles P-C4'-P energy: -62.653
tors. eta vs tors. theta energy: -125.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1640.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.041314 (E_RNA)
where:
Base-Base interactions energy: -1157.472
where: short stacking energy: -478.364
Base-Backbone interact. energy: -0.627
local terms energy: -481.942672
where:
bonds (distance) C4'-P energy: -90.440
bonds (distance) P-C4' energy: -101.084
flat angles C4'-P-C4' energy: -119.121
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -114.259
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: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1541.125213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.125213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.125213 (E_RNA)
where:
Base-Base interactions energy: -1083.862
where: short stacking energy: -454.679
Base-Backbone interact. energy: 3.059
local terms energy: -460.321584
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -89.003
flat angles C4'-P-C4' energy: -105.078
flat angles P-C4'-P energy: -58.208
tors. eta vs tors. theta energy: -115.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1430.116454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.116454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.116454 (E_RNA)
where:
Base-Base interactions energy: -952.342
where: short stacking energy: -396.675
Base-Backbone interact. energy: -1.126
local terms energy: -476.649245
where:
bonds (distance) C4'-P energy: -91.856
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -101.840
flat angles P-C4'-P energy: -69.629
tors. eta vs tors. theta energy: -108.119
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: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1233.294045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.294045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.294045 (E_RNA)
where:
Base-Base interactions energy: -831.826
where: short stacking energy: -370.089
Base-Backbone interact. energy: -0.677
local terms energy: -400.790578
where:
bonds (distance) C4'-P energy: -81.639
bonds (distance) P-C4' energy: -95.405
flat angles C4'-P-C4' energy: -90.665
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -81.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1038.303186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.303186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.303186 (E_RNA)
where:
Base-Base interactions energy: -677.997
where: short stacking energy: -293.445
Base-Backbone interact. energy: 3.129
local terms energy: -363.435010
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -81.795
flat angles C4'-P-C4' energy: -68.819
flat angles P-C4'-P energy: -66.823
tors. eta vs tors. theta energy: -53.899
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: 328
Temperature: 1.350000
Total energy: -855.708435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.708435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.708435 (E_RNA)
where:
Base-Base interactions energy: -515.153
where: short stacking energy: -255.727
Base-Backbone interact. energy: -1.054
local terms energy: -339.501219
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -75.395
flat angles C4'-P-C4' energy: -101.319
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -23.280
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: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1978.576084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.576084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.576084 (E_RNA)
where:
Base-Base interactions energy: -1397.234
where: short stacking energy: -569.957
Base-Backbone interact. energy: -3.757
local terms energy: -577.585393
where:
bonds (distance) C4'-P energy: -102.637
bonds (distance) P-C4' energy: -109.795
flat angles C4'-P-C4' energy: -120.462
flat angles P-C4'-P energy: -83.809
tors. eta vs tors. theta energy: -160.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1848.789692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.789692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.789692 (E_RNA)
where:
Base-Base interactions energy: -1274.152
where: short stacking energy: -547.729
Base-Backbone interact. energy: -1.604
local terms energy: -573.033967
where:
bonds (distance) C4'-P energy: -102.282
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -124.419
flat angles P-C4'-P energy: -81.845
tors. eta vs tors. theta energy: -154.287
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: 329
Temperature: 1.000000
Total energy: -1770.127137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.127137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.127137 (E_RNA)
where:
Base-Base interactions energy: -1247.805
where: short stacking energy: -524.255
Base-Backbone interact. energy: -0.901
local terms energy: -521.421302
where:
bonds (distance) C4'-P energy: -86.826
bonds (distance) P-C4' energy: -96.708
flat angles C4'-P-C4' energy: -121.000
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -140.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1745.924150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.924150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.924150 (E_RNA)
where:
Base-Base interactions energy: -1214.488
where: short stacking energy: -506.482
Base-Backbone interact. energy: -2.224
local terms energy: -529.212567
where:
bonds (distance) C4'-P energy: -104.079
bonds (distance) P-C4' energy: -95.473
flat angles C4'-P-C4' energy: -116.740
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -135.481
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1653.896715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.896715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.896715 (E_RNA)
where:
Base-Base interactions energy: -1158.974
where: short stacking energy: -470.525
Base-Backbone interact. energy: -0.047
local terms energy: -494.876278
where:
bonds (distance) C4'-P energy: -90.975
bonds (distance) P-C4' energy: -95.902
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1573.014617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.014617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.014617 (E_RNA)
where:
Base-Base interactions energy: -1094.721
where: short stacking energy: -478.864
Base-Backbone interact. energy: -3.469
local terms energy: -474.824596
where:
bonds (distance) C4'-P energy: -89.245
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -103.034
flat angles P-C4'-P energy: -69.807
tors. eta vs tors. theta energy: -132.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1466.648395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.648395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.648395 (E_RNA)
where:
Base-Base interactions energy: -993.937
where: short stacking energy: -435.484
Base-Backbone interact. energy: -3.560
local terms energy: -469.151048
where:
bonds (distance) C4'-P energy: -95.098
bonds (distance) P-C4' energy: -73.977
flat angles C4'-P-C4' energy: -104.279
flat angles P-C4'-P energy: -74.827
tors. eta vs tors. theta energy: -120.970
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: 329
Temperature: 1.250000
Total energy: -1225.023529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.023529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.023529 (E_RNA)
where:
Base-Base interactions energy: -810.179
where: short stacking energy: -358.311
Base-Backbone interact. energy: -2.030
local terms energy: -412.814616
where:
bonds (distance) C4'-P energy: -87.907
bonds (distance) P-C4' energy: -106.522
flat angles C4'-P-C4' energy: -94.034
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: -76.977
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: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1078.787427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.787427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.787427 (E_RNA)
where:
Base-Base interactions energy: -709.641
where: short stacking energy: -330.327
Base-Backbone interact. energy: 1.525
local terms energy: -370.671376
where:
bonds (distance) C4'-P energy: -81.565
bonds (distance) P-C4' energy: -99.608
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -46.125
tors. eta vs tors. theta energy: -64.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -854.430293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.430293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.430293 (E_RNA)
where:
Base-Base interactions energy: -530.859
where: short stacking energy: -249.787
Base-Backbone interact. energy: -2.643
local terms energy: -320.928253
where:
bonds (distance) C4'-P energy: -68.399
bonds (distance) P-C4' energy: -80.742
flat angles C4'-P-C4' energy: -91.618
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: -31.061
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1961.115097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.115097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.115097 (E_RNA)
where:
Base-Base interactions energy: -1391.715
where: short stacking energy: -568.586
Base-Backbone interact. energy: -3.936
local terms energy: -565.464574
where:
bonds (distance) C4'-P energy: -103.679
bonds (distance) P-C4' energy: -98.375
flat angles C4'-P-C4' energy: -119.275
flat angles P-C4'-P energy: -88.107
tors. eta vs tors. theta energy: -156.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1830.109048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.109048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.109048 (E_RNA)
where:
Base-Base interactions energy: -1281.264
where: short stacking energy: -534.357
Base-Backbone interact. energy: 0.278
local terms energy: -549.123598
where:
bonds (distance) C4'-P energy: -97.289
bonds (distance) P-C4' energy: -107.347
flat angles C4'-P-C4' energy: -120.646
flat angles P-C4'-P energy: -80.898
tors. eta vs tors. theta energy: -142.944
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1801.043778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.043778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.043778 (E_RNA)
where:
Base-Base interactions energy: -1254.163
where: short stacking energy: -519.338
Base-Backbone interact. energy: -3.708
local terms energy: -543.172658
where:
bonds (distance) C4'-P energy: -91.416
bonds (distance) P-C4' energy: -104.949
flat angles C4'-P-C4' energy: -127.492
flat angles P-C4'-P energy: -77.713
tors. eta vs tors. theta energy: -141.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1751.389711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.389711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.389711 (E_RNA)
where:
Base-Base interactions energy: -1213.039
where: short stacking energy: -510.377
Base-Backbone interact. energy: -2.172
local terms energy: -536.178528
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -101.434
flat angles C4'-P-C4' energy: -119.102
flat angles P-C4'-P energy: -86.185
tors. eta vs tors. theta energy: -138.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1656.212887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.212887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.212887 (E_RNA)
where:
Base-Base interactions energy: -1159.698
where: short stacking energy: -475.579
Base-Backbone interact. energy: -2.338
local terms energy: -494.176335
where:
bonds (distance) C4'-P energy: -96.384
bonds (distance) P-C4' energy: -97.184
flat angles C4'-P-C4' energy: -113.380
flat angles P-C4'-P energy: -73.974
tors. eta vs tors. theta energy: -113.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1566.851999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.851999 (E_RNA)
where:
Base-Base interactions energy: -1059.470
where: short stacking energy: -436.572
Base-Backbone interact. energy: -1.724
local terms energy: -505.657848
where:
bonds (distance) C4'-P energy: -102.386
bonds (distance) P-C4' energy: -104.764
flat angles C4'-P-C4' energy: -103.731
flat angles P-C4'-P energy: -70.974
tors. eta vs tors. theta energy: -123.803
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1413.592551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.592551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.592551 (E_RNA)
where:
Base-Base interactions energy: -983.116
where: short stacking energy: -395.081
Base-Backbone interact. energy: 3.637
local terms energy: -434.113050
where:
bonds (distance) C4'-P energy: -76.599
bonds (distance) P-C4' energy: -94.058
flat angles C4'-P-C4' energy: -100.079
flat angles P-C4'-P energy: -68.814
tors. eta vs tors. theta energy: -94.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1212.487467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.487467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.487467 (E_RNA)
where:
Base-Base interactions energy: -815.771
where: short stacking energy: -374.162
Base-Backbone interact. energy: -0.030
local terms energy: -396.686749
where:
bonds (distance) C4'-P energy: -83.853
bonds (distance) P-C4' energy: -91.171
flat angles C4'-P-C4' energy: -98.266
flat angles P-C4'-P energy: -55.206
tors. eta vs tors. theta energy: -68.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1055.700218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.700218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.700218 (E_RNA)
where:
Base-Base interactions energy: -692.645
where: short stacking energy: -295.470
Base-Backbone interact. energy: -0.965
local terms energy: -362.090668
where:
bonds (distance) C4'-P energy: -73.682
bonds (distance) P-C4' energy: -81.657
flat angles C4'-P-C4' energy: -103.152
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -44.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -820.354367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.354367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.354367 (E_RNA)
where:
Base-Base interactions energy: -492.657
where: short stacking energy: -236.140
Base-Backbone interact. energy: -0.217
local terms energy: -327.480686
where:
bonds (distance) C4'-P energy: -69.933
bonds (distance) P-C4' energy: -73.971
flat angles C4'-P-C4' energy: -91.959
flat angles P-C4'-P energy: -55.662
tors. eta vs tors. theta energy: -35.956
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: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1954.493200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.493200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.493200 (E_RNA)
where:
Base-Base interactions energy: -1379.879
where: short stacking energy: -574.489
Base-Backbone interact. energy: -3.413
local terms energy: -571.200888
where:
bonds (distance) C4'-P energy: -107.331
bonds (distance) P-C4' energy: -100.424
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -154.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1844.951686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.951686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.951686 (E_RNA)
where:
Base-Base interactions energy: -1284.569
where: short stacking energy: -532.317
Base-Backbone interact. energy: -2.220
local terms energy: -558.162551
where:
bonds (distance) C4'-P energy: -103.081
bonds (distance) P-C4' energy: -111.631
flat angles C4'-P-C4' energy: -123.925
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -147.308
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1830.989390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.989390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.989390 (E_RNA)
where:
Base-Base interactions energy: -1292.313
where: short stacking energy: -536.646
Base-Backbone interact. energy: -4.003
local terms energy: -534.673028
where:
bonds (distance) C4'-P energy: -90.748
bonds (distance) P-C4' energy: -98.039
flat angles C4'-P-C4' energy: -107.882
flat angles P-C4'-P energy: -87.100
tors. eta vs tors. theta energy: -150.904
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: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1747.628120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.628120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.628120 (E_RNA)
where:
Base-Base interactions energy: -1233.042
where: short stacking energy: -513.011
Base-Backbone interact. energy: -3.461
local terms energy: -511.124619
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -99.603
flat angles C4'-P-C4' energy: -114.490
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -134.677
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: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1663.321156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.321156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.321156 (E_RNA)
where:
Base-Base interactions energy: -1139.314
where: short stacking energy: -476.933
Base-Backbone interact. energy: -2.297
local terms energy: -521.709633
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -106.114
flat angles C4'-P-C4' energy: -117.649
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -132.248
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: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1532.219885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.219885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.219885 (E_RNA)
where:
Base-Base interactions energy: -1058.332
where: short stacking energy: -442.022
Base-Backbone interact. energy: -0.838
local terms energy: -473.050060
where:
bonds (distance) C4'-P energy: -89.095
bonds (distance) P-C4' energy: -95.127
flat angles C4'-P-C4' energy: -110.116
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -113.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1447.428152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.428152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.428152 (E_RNA)
where:
Base-Base interactions energy: -979.552
where: short stacking energy: -419.113
Base-Backbone interact. energy: -1.525
local terms energy: -466.351228
where:
bonds (distance) C4'-P energy: -84.559
bonds (distance) P-C4' energy: -98.345
flat angles C4'-P-C4' energy: -111.321
flat angles P-C4'-P energy: -68.951
tors. eta vs tors. theta energy: -103.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1191.897365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.897365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.897365 (E_RNA)
where:
Base-Base interactions energy: -795.812
where: short stacking energy: -345.808
Base-Backbone interact. energy: -0.857
local terms energy: -395.228322
where:
bonds (distance) C4'-P energy: -91.766
bonds (distance) P-C4' energy: -89.038
flat angles C4'-P-C4' energy: -94.771
flat angles P-C4'-P energy: -51.539
tors. eta vs tors. theta energy: -68.114
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: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1086.586040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.586040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.586040 (E_RNA)
where:
Base-Base interactions energy: -723.515
where: short stacking energy: -301.321
Base-Backbone interact. energy: -1.394
local terms energy: -361.676966
where:
bonds (distance) C4'-P energy: -93.409
bonds (distance) P-C4' energy: -87.969
flat angles C4'-P-C4' energy: -87.189
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -51.491
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: 331
Temperature: 1.350000
Total energy: -755.094347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.094347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.094347 (E_RNA)
where:
Base-Base interactions energy: -444.419
where: short stacking energy: -227.458
Base-Backbone interact. energy: 1.067
local terms energy: -311.741642
where:
bonds (distance) C4'-P energy: -78.373
bonds (distance) P-C4' energy: -81.488
flat angles C4'-P-C4' energy: -82.338
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -21.015
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1950.970822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.970822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.970822 (E_RNA)
where:
Base-Base interactions energy: -1367.840
where: short stacking energy: -581.543
Base-Backbone interact. energy: -1.377
local terms energy: -581.754005
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -101.015
flat angles C4'-P-C4' energy: -122.973
flat angles P-C4'-P energy: -90.038
tors. eta vs tors. theta energy: -164.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1854.989495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.989495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.989495 (E_RNA)
where:
Base-Base interactions energy: -1311.321
where: short stacking energy: -537.156
Base-Backbone interact. energy: 0.788
local terms energy: -544.455695
where:
bonds (distance) C4'-P energy: -92.155
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -121.848
flat angles P-C4'-P energy: -81.148
tors. eta vs tors. theta energy: -139.908
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: 332
Temperature: 1.000000
Total energy: -1807.544806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.544806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.544806 (E_RNA)
where:
Base-Base interactions energy: -1265.951
where: short stacking energy: -536.297
Base-Backbone interact. energy: 2.739
local terms energy: -544.332917
where:
bonds (distance) C4'-P energy: -103.180
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -110.580
flat angles P-C4'-P energy: -82.948
tors. eta vs tors. theta energy: -152.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1750.348240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.348240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.348240 (E_RNA)
where:
Base-Base interactions energy: -1225.982
where: short stacking energy: -513.511
Base-Backbone interact. energy: 4.112
local terms energy: -528.477887
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -99.166
flat angles C4'-P-C4' energy: -119.897
flat angles P-C4'-P energy: -79.362
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: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1638.381316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.381316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.381316 (E_RNA)
where:
Base-Base interactions energy: -1136.407
where: short stacking energy: -466.954
Base-Backbone interact. energy: -1.797
local terms energy: -500.177268
where:
bonds (distance) C4'-P energy: -98.916
bonds (distance) P-C4' energy: -92.197
flat angles C4'-P-C4' energy: -120.266
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -119.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1542.016553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.016553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.016553 (E_RNA)
where:
Base-Base interactions energy: -1068.228
where: short stacking energy: -447.626
Base-Backbone interact. energy: 1.374
local terms energy: -475.162281
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -107.555
flat angles P-C4'-P energy: -66.099
tors. eta vs tors. theta energy: -103.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1434.435803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.435803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.435803 (E_RNA)
where:
Base-Base interactions energy: -996.933
where: short stacking energy: -424.041
Base-Backbone interact. energy: -1.358
local terms energy: -436.145395
where:
bonds (distance) C4'-P energy: -71.598
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -98.636
flat angles P-C4'-P energy: -69.055
tors. eta vs tors. theta energy: -103.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1204.241584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.241584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.241584 (E_RNA)
where:
Base-Base interactions energy: -787.453
where: short stacking energy: -351.746
Base-Backbone interact. energy: -2.599
local terms energy: -414.189475
where:
bonds (distance) C4'-P energy: -82.468
bonds (distance) P-C4' energy: -97.070
flat angles C4'-P-C4' energy: -101.123
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -81.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1057.942491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.942491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.942491 (E_RNA)
where:
Base-Base interactions energy: -678.461
where: short stacking energy: -279.772
Base-Backbone interact. energy: 1.248
local terms energy: -380.729363
where:
bonds (distance) C4'-P energy: -92.207
bonds (distance) P-C4' energy: -91.355
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -53.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -849.537708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.537708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.537708 (E_RNA)
where:
Base-Base interactions energy: -545.816
where: short stacking energy: -253.224
Base-Backbone interact. energy: -0.027
local terms energy: -303.694495
where:
bonds (distance) C4'-P energy: -75.907
bonds (distance) P-C4' energy: -96.784
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -46.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1973.424259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.424259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.424259 (E_RNA)
where:
Base-Base interactions energy: -1375.277
where: short stacking energy: -588.250
Base-Backbone interact. energy: -0.939
local terms energy: -597.208865
where:
bonds (distance) C4'-P energy: -108.915
bonds (distance) P-C4' energy: -108.021
flat angles C4'-P-C4' energy: -130.970
flat angles P-C4'-P energy: -87.121
tors. eta vs tors. theta energy: -162.181
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: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1859.172202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.172202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.172202 (E_RNA)
where:
Base-Base interactions energy: -1321.456
where: short stacking energy: -546.069
Base-Backbone interact. energy: -0.746
local terms energy: -536.970533
where:
bonds (distance) C4'-P energy: -99.356
bonds (distance) P-C4' energy: -102.855
flat angles C4'-P-C4' energy: -121.546
flat angles P-C4'-P energy: -70.163
tors. eta vs tors. theta energy: -143.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1796.793251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.793251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.793251 (E_RNA)
where:
Base-Base interactions energy: -1258.939
where: short stacking energy: -516.042
Base-Backbone interact. energy: 1.585
local terms energy: -539.439315
where:
bonds (distance) C4'-P energy: -105.840
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -124.105
flat angles P-C4'-P energy: -71.095
tors. eta vs tors. theta energy: -138.770
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1669.742387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.742387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.742387 (E_RNA)
where:
Base-Base interactions energy: -1160.906
where: short stacking energy: -474.476
Base-Backbone interact. energy: -5.434
local terms energy: -503.403026
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -110.816
flat angles C4'-P-C4' energy: -101.308
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -125.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1686.472849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.472849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.472849 (E_RNA)
where:
Base-Base interactions energy: -1163.096
where: short stacking energy: -493.843
Base-Backbone interact. energy: -4.583
local terms energy: -518.793670
where:
bonds (distance) C4'-P energy: -99.986
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -123.380
flat angles P-C4'-P energy: -75.941
tors. eta vs tors. theta energy: -131.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1543.469675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.469675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.469675 (E_RNA)
where:
Base-Base interactions energy: -1065.113
where: short stacking energy: -464.207
Base-Backbone interact. energy: -1.463
local terms energy: -476.893644
where:
bonds (distance) C4'-P energy: -100.635
bonds (distance) P-C4' energy: -89.469
flat angles C4'-P-C4' energy: -99.989
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: -118.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1391.539477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.539477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.539477 (E_RNA)
where:
Base-Base interactions energy: -943.825
where: short stacking energy: -406.030
Base-Backbone interact. energy: -1.604
local terms energy: -446.110260
where:
bonds (distance) C4'-P energy: -79.622
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -89.112
flat angles P-C4'-P energy: -81.069
tors. eta vs tors. theta energy: -103.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1249.150725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.150725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.150725 (E_RNA)
where:
Base-Base interactions energy: -840.280
where: short stacking energy: -366.991
Base-Backbone interact. energy: 0.946
local terms energy: -409.817267
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -89.512
flat angles C4'-P-C4' energy: -93.713
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -84.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1005.449009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.449009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.449009 (E_RNA)
where:
Base-Base interactions energy: -668.180
where: short stacking energy: -300.558
Base-Backbone interact. energy: -3.282
local terms energy: -333.987111
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -88.527
flat angles C4'-P-C4' energy: -90.280
flat angles P-C4'-P energy: -54.262
tors. eta vs tors. theta energy: -45.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -872.312006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.312006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.312006 (E_RNA)
where:
Base-Base interactions energy: -497.934
where: short stacking energy: -234.616
Base-Backbone interact. energy: -2.118
local terms energy: -372.260025
where:
bonds (distance) C4'-P energy: -91.258
bonds (distance) P-C4' energy: -93.938
flat angles C4'-P-C4' energy: -96.334
flat angles P-C4'-P energy: -58.375
tors. eta vs tors. theta energy: -32.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1965.408391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.408391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.408391 (E_RNA)
where:
Base-Base interactions energy: -1375.799
where: short stacking energy: -571.116
Base-Backbone interact. energy: -0.508
local terms energy: -589.101766
where:
bonds (distance) C4'-P energy: -104.889
bonds (distance) P-C4' energy: -117.283
flat angles C4'-P-C4' energy: -121.136
flat angles P-C4'-P energy: -79.019
tors. eta vs tors. theta energy: -166.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1843.159741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.159741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.159741 (E_RNA)
where:
Base-Base interactions energy: -1293.386
where: short stacking energy: -524.823
Base-Backbone interact. energy: -3.298
local terms energy: -546.475715
where:
bonds (distance) C4'-P energy: -102.001
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -112.629
flat angles P-C4'-P energy: -86.804
tors. eta vs tors. theta energy: -139.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1810.737466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.737466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.737466 (E_RNA)
where:
Base-Base interactions energy: -1244.037
where: short stacking energy: -519.066
Base-Backbone interact. energy: -4.961
local terms energy: -561.739911
where:
bonds (distance) C4'-P energy: -98.100
bonds (distance) P-C4' energy: -108.706
flat angles C4'-P-C4' energy: -114.029
flat angles P-C4'-P energy: -81.180
tors. eta vs tors. theta energy: -159.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1710.648780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.648780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.648780 (E_RNA)
where:
Base-Base interactions energy: -1211.054
where: short stacking energy: -490.288
Base-Backbone interact. energy: -4.629
local terms energy: -494.965758
where:
bonds (distance) C4'-P energy: -92.160
bonds (distance) P-C4' energy: -89.158
flat angles C4'-P-C4' energy: -109.162
flat angles P-C4'-P energy: -70.725
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1618.592581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.592581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.592581 (E_RNA)
where:
Base-Base interactions energy: -1103.684
where: short stacking energy: -444.369
Base-Backbone interact. energy: 0.979
local terms energy: -515.887081
where:
bonds (distance) C4'-P energy: -103.836
bonds (distance) P-C4' energy: -94.763
flat angles C4'-P-C4' energy: -113.307
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: -119.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1493.324845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.324845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.324845 (E_RNA)
where:
Base-Base interactions energy: -1033.275
where: short stacking energy: -408.711
Base-Backbone interact. energy: 4.051
local terms energy: -464.100739
where:
bonds (distance) C4'-P energy: -96.914
bonds (distance) P-C4' energy: -84.649
flat angles C4'-P-C4' energy: -112.983
flat angles P-C4'-P energy: -67.612
tors. eta vs tors. theta energy: -101.942
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: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1414.058635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.058635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.058635 (E_RNA)
where:
Base-Base interactions energy: -950.064
where: short stacking energy: -420.965
Base-Backbone interact. energy: -2.160
local terms energy: -461.835183
where:
bonds (distance) C4'-P energy: -91.624
bonds (distance) P-C4' energy: -97.155
flat angles C4'-P-C4' energy: -111.606
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -108.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1248.775350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.775350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.775350 (E_RNA)
where:
Base-Base interactions energy: -839.578
where: short stacking energy: -381.050
Base-Backbone interact. energy: 0.698
local terms energy: -409.895493
where:
bonds (distance) C4'-P energy: -83.027
bonds (distance) P-C4' energy: -102.036
flat angles C4'-P-C4' energy: -83.217
flat angles P-C4'-P energy: -54.903
tors. eta vs tors. theta energy: -86.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1005.774103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.774103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.774103 (E_RNA)
where:
Base-Base interactions energy: -652.389
where: short stacking energy: -311.341
Base-Backbone interact. energy: 7.681
local terms energy: -361.066276
where:
bonds (distance) C4'-P energy: -87.675
bonds (distance) P-C4' energy: -104.951
flat angles C4'-P-C4' energy: -70.563
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -880.928614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.928614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.928614 (E_RNA)
where:
Base-Base interactions energy: -556.486
where: short stacking energy: -266.131
Base-Backbone interact. energy: 1.866
local terms energy: -326.308011
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -89.086
flat angles C4'-P-C4' energy: -90.519
flat angles P-C4'-P energy: -38.581
tors. eta vs tors. theta energy: -24.941
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: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1950.426910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.426910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.426910 (E_RNA)
where:
Base-Base interactions energy: -1382.978
where: short stacking energy: -573.274
Base-Backbone interact. energy: -2.421
local terms energy: -565.027806
where:
bonds (distance) C4'-P energy: -106.578
bonds (distance) P-C4' energy: -100.601
flat angles C4'-P-C4' energy: -114.379
flat angles P-C4'-P energy: -89.124
tors. eta vs tors. theta energy: -154.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1865.370280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.370280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.370280 (E_RNA)
where:
Base-Base interactions energy: -1287.487
where: short stacking energy: -544.239
Base-Backbone interact. energy: -1.102
local terms energy: -576.780958
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -119.041
flat angles C4'-P-C4' energy: -124.836
flat angles P-C4'-P energy: -78.064
tors. eta vs tors. theta energy: -157.213
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: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1791.253445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.253445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.253445 (E_RNA)
where:
Base-Base interactions energy: -1291.639
where: short stacking energy: -512.070
Base-Backbone interact. energy: 0.784
local terms energy: -500.398428
where:
bonds (distance) C4'-P energy: -85.763
bonds (distance) P-C4' energy: -93.313
flat angles C4'-P-C4' energy: -106.690
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -138.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1724.814805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.814805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.814805 (E_RNA)
where:
Base-Base interactions energy: -1202.950
where: short stacking energy: -479.050
Base-Backbone interact. energy: -1.013
local terms energy: -520.851606
where:
bonds (distance) C4'-P energy: -97.073
bonds (distance) P-C4' energy: -108.140
flat angles C4'-P-C4' energy: -113.984
flat angles P-C4'-P energy: -80.858
tors. eta vs tors. theta energy: -120.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1606.079826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.079826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.079826 (E_RNA)
where:
Base-Base interactions energy: -1120.364
where: short stacking energy: -454.362
Base-Backbone interact. energy: -1.453
local terms energy: -484.263372
where:
bonds (distance) C4'-P energy: -103.950
bonds (distance) P-C4' energy: -83.462
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -85.377
tors. eta vs tors. theta energy: -103.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1514.335396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.335396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.335396 (E_RNA)
where:
Base-Base interactions energy: -1055.851
where: short stacking energy: -459.530
Base-Backbone interact. energy: 0.186
local terms energy: -458.670391
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -92.739
flat angles C4'-P-C4' energy: -102.852
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: -116.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1387.873053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.873053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.873053 (E_RNA)
where:
Base-Base interactions energy: -973.628
where: short stacking energy: -413.067
Base-Backbone interact. energy: -3.275
local terms energy: -410.970215
where:
bonds (distance) C4'-P energy: -85.086
bonds (distance) P-C4' energy: -96.153
flat angles C4'-P-C4' energy: -85.708
flat angles P-C4'-P energy: -54.275
tors. eta vs tors. theta energy: -89.749
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: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1224.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.450238 (E_RNA)
where:
Base-Base interactions energy: -817.496
where: short stacking energy: -367.954
Base-Backbone interact. energy: -1.992
local terms energy: -404.962347
where:
bonds (distance) C4'-P energy: -85.510
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -84.143
flat angles P-C4'-P energy: -63.936
tors. eta vs tors. theta energy: -84.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1043.328506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.328506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.328506 (E_RNA)
where:
Base-Base interactions energy: -666.311
where: short stacking energy: -294.514
Base-Backbone interact. energy: -2.164
local terms energy: -374.853433
where:
bonds (distance) C4'-P energy: -90.781
bonds (distance) P-C4' energy: -85.729
flat angles C4'-P-C4' energy: -84.398
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -51.500
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: 335
Temperature: 1.350000
Total energy: -897.573245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.573245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.573245 (E_RNA)
where:
Base-Base interactions energy: -556.175
where: short stacking energy: -273.280
Base-Backbone interact. energy: 3.434
local terms energy: -344.831834
where:
bonds (distance) C4'-P energy: -77.112
bonds (distance) P-C4' energy: -93.068
flat angles C4'-P-C4' energy: -79.471
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1954.393876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.393876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.393876 (E_RNA)
where:
Base-Base interactions energy: -1385.392
where: short stacking energy: -573.893
Base-Backbone interact. energy: -4.070
local terms energy: -564.931562
where:
bonds (distance) C4'-P energy: -102.163
bonds (distance) P-C4' energy: -108.415
flat angles C4'-P-C4' energy: -126.558
flat angles P-C4'-P energy: -75.470
tors. eta vs tors. theta energy: -152.325
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: 336
Temperature: 0.950000
Total energy: -1858.225310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.225310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.225310 (E_RNA)
where:
Base-Base interactions energy: -1287.755
where: short stacking energy: -539.836
Base-Backbone interact. energy: -4.465
local terms energy: -566.004860
where:
bonds (distance) C4'-P energy: -104.733
bonds (distance) P-C4' energy: -97.662
flat angles C4'-P-C4' energy: -123.141
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -151.346
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: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1798.879312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.879312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.879312 (E_RNA)
where:
Base-Base interactions energy: -1252.348
where: short stacking energy: -490.005
Base-Backbone interact. energy: -0.285
local terms energy: -546.246139
where:
bonds (distance) C4'-P energy: -110.787
bonds (distance) P-C4' energy: -110.627
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -64.515
tors. eta vs tors. theta energy: -135.204
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1707.492603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.492603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.492603 (E_RNA)
where:
Base-Base interactions energy: -1177.568
where: short stacking energy: -486.976
Base-Backbone interact. energy: -4.539
local terms energy: -525.386192
where:
bonds (distance) C4'-P energy: -105.849
bonds (distance) P-C4' energy: -98.150
flat angles C4'-P-C4' energy: -115.782
flat angles P-C4'-P energy: -78.088
tors. eta vs tors. theta energy: -127.517
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1661.645700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.645700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.645700 (E_RNA)
where:
Base-Base interactions energy: -1158.998
where: short stacking energy: -483.057
Base-Backbone interact. energy: -1.692
local terms energy: -500.956125
where:
bonds (distance) C4'-P energy: -101.498
bonds (distance) P-C4' energy: -106.804
flat angles C4'-P-C4' energy: -111.520
flat angles P-C4'-P energy: -62.281
tors. eta vs tors. theta energy: -118.853
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: 336
Temperature: 1.150000
Total energy: -1493.455410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.455410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.455410 (E_RNA)
where:
Base-Base interactions energy: -1021.398
where: short stacking energy: -432.356
Base-Backbone interact. energy: -0.573
local terms energy: -471.485023
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -111.345
flat angles C4'-P-C4' energy: -95.355
flat angles P-C4'-P energy: -61.942
tors. eta vs tors. theta energy: -111.719
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: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1228.657202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.657202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.657202 (E_RNA)
where:
Base-Base interactions energy: -833.178
where: short stacking energy: -381.764
Base-Backbone interact. energy: -0.078
local terms energy: -395.401146
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -77.247
flat angles C4'-P-C4' energy: -87.648
flat angles P-C4'-P energy: -59.887
tors. eta vs tors. theta energy: -81.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1390.904189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.904189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.904189 (E_RNA)
where:
Base-Base interactions energy: -946.191
where: short stacking energy: -400.542
Base-Backbone interact. energy: -2.321
local terms energy: -442.392201
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -96.845
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -57.772
tors. eta vs tors. theta energy: -95.435
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: 336
Temperature: 1.300000
Total energy: -1067.805342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.805342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.805342 (E_RNA)
where:
Base-Base interactions energy: -701.707
where: short stacking energy: -317.693
Base-Backbone interact. energy: 0.094
local terms energy: -366.192254
where:
bonds (distance) C4'-P energy: -88.967
bonds (distance) P-C4' energy: -93.095
flat angles C4'-P-C4' energy: -83.339
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -842.432030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.432030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.432030 (E_RNA)
where:
Base-Base interactions energy: -527.457
where: short stacking energy: -241.850
Base-Backbone interact. energy: 2.006
local terms energy: -316.980759
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -98.377
flat angles C4'-P-C4' energy: -82.659
flat angles P-C4'-P energy: -44.811
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1962.789997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.789997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.789997 (E_RNA)
where:
Base-Base interactions energy: -1376.315
where: short stacking energy: -556.020
Base-Backbone interact. energy: -1.786
local terms energy: -584.688351
where:
bonds (distance) C4'-P energy: -115.101
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -120.825
flat angles P-C4'-P energy: -84.109
tors. eta vs tors. theta energy: -149.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1869.692274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.692274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.692274 (E_RNA)
where:
Base-Base interactions energy: -1324.691
where: short stacking energy: -541.739
Base-Backbone interact. energy: 0.557
local terms energy: -545.557893
where:
bonds (distance) C4'-P energy: -109.700
bonds (distance) P-C4' energy: -100.190
flat angles C4'-P-C4' energy: -114.671
flat angles P-C4'-P energy: -77.993
tors. eta vs tors. theta energy: -143.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1750.522729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.522729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.522729 (E_RNA)
where:
Base-Base interactions energy: -1252.207
where: short stacking energy: -517.332
Base-Backbone interact. energy: 2.477
local terms energy: -500.792708
where:
bonds (distance) C4'-P energy: -79.398
bonds (distance) P-C4' energy: -95.237
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -81.403
tors. eta vs tors. theta energy: -137.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1693.783857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.783857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.783857 (E_RNA)
where:
Base-Base interactions energy: -1198.476
where: short stacking energy: -491.526
Base-Backbone interact. energy: -1.410
local terms energy: -493.898513
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -119.098
flat angles P-C4'-P energy: -66.516
tors. eta vs tors. theta energy: -124.851
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1600.656095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.656095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.656095 (E_RNA)
where:
Base-Base interactions energy: -1120.112
where: short stacking energy: -470.750
Base-Backbone interact. energy: -3.385
local terms energy: -477.159787
where:
bonds (distance) C4'-P energy: -88.520
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -117.325
flat angles P-C4'-P energy: -71.060
tors. eta vs tors. theta energy: -110.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1527.225111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.225111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.225111 (E_RNA)
where:
Base-Base interactions energy: -1028.145
where: short stacking energy: -432.432
Base-Backbone interact. energy: -2.925
local terms energy: -496.155188
where:
bonds (distance) C4'-P energy: -91.930
bonds (distance) P-C4' energy: -97.626
flat angles C4'-P-C4' energy: -110.395
flat angles P-C4'-P energy: -82.653
tors. eta vs tors. theta energy: -113.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1282.734384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.734384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.734384 (E_RNA)
where:
Base-Base interactions energy: -861.439
where: short stacking energy: -379.294
Base-Backbone interact. energy: -0.897
local terms energy: -420.399150
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -102.358
flat angles C4'-P-C4' energy: -89.367
flat angles P-C4'-P energy: -59.424
tors. eta vs tors. theta energy: -89.298
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: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1317.180264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.180264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.180264 (E_RNA)
where:
Base-Base interactions energy: -898.308
where: short stacking energy: -368.025
Base-Backbone interact. energy: -1.519
local terms energy: -417.353445
where:
bonds (distance) C4'-P energy: -92.618
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -100.813
flat angles P-C4'-P energy: -66.382
tors. eta vs tors. theta energy: -82.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1079.005667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.005667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.005667 (E_RNA)
where:
Base-Base interactions energy: -698.121
where: short stacking energy: -316.201
Base-Backbone interact. energy: -0.353
local terms energy: -380.531900
where:
bonds (distance) C4'-P energy: -85.954
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -84.509
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -54.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -844.706928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.706928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.706928 (E_RNA)
where:
Base-Base interactions energy: -501.078
where: short stacking energy: -234.730
Base-Backbone interact. energy: -2.989
local terms energy: -340.640595
where:
bonds (distance) C4'-P energy: -83.331
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -80.984
flat angles P-C4'-P energy: -61.645
tors. eta vs tors. theta energy: -22.226
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: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1961.732195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.732195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.732195 (E_RNA)
where:
Base-Base interactions energy: -1394.642
where: short stacking energy: -559.163
Base-Backbone interact. energy: -2.066
local terms energy: -565.023880
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -125.557
flat angles P-C4'-P energy: -77.736
tors. eta vs tors. theta energy: -156.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1844.972052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.972052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.972052 (E_RNA)
where:
Base-Base interactions energy: -1288.484
where: short stacking energy: -527.470
Base-Backbone interact. energy: 1.446
local terms energy: -557.934002
where:
bonds (distance) C4'-P energy: -107.176
bonds (distance) P-C4' energy: -102.887
flat angles C4'-P-C4' energy: -121.215
flat angles P-C4'-P energy: -77.868
tors. eta vs tors. theta energy: -148.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1773.682263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.682263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.682263 (E_RNA)
where:
Base-Base interactions energy: -1234.881
where: short stacking energy: -504.581
Base-Backbone interact. energy: -3.027
local terms energy: -535.773786
where:
bonds (distance) C4'-P energy: -98.293
bonds (distance) P-C4' energy: -100.998
flat angles C4'-P-C4' energy: -120.361
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -135.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1675.923646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.923646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.923646 (E_RNA)
where:
Base-Base interactions energy: -1162.291
where: short stacking energy: -486.056
Base-Backbone interact. energy: -1.207
local terms energy: -512.425932
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -99.034
flat angles C4'-P-C4' energy: -101.108
flat angles P-C4'-P energy: -89.331
tors. eta vs tors. theta energy: -128.900
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: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1570.761414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.761414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.761414 (E_RNA)
where:
Base-Base interactions energy: -1079.258
where: short stacking energy: -453.810
Base-Backbone interact. energy: 7.194
local terms energy: -498.697780
where:
bonds (distance) C4'-P energy: -92.081
bonds (distance) P-C4' energy: -104.315
flat angles C4'-P-C4' energy: -117.424
flat angles P-C4'-P energy: -70.385
tors. eta vs tors. theta energy: -114.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1542.621308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.621308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.621308 (E_RNA)
where:
Base-Base interactions energy: -1064.341
where: short stacking energy: -435.205
Base-Backbone interact. energy: 0.736
local terms energy: -479.016420
where:
bonds (distance) C4'-P energy: -101.684
bonds (distance) P-C4' energy: -110.142
flat angles C4'-P-C4' energy: -87.501
flat angles P-C4'-P energy: -60.902
tors. eta vs tors. theta energy: -118.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1433.961755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.961755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.961755 (E_RNA)
where:
Base-Base interactions energy: -977.454
where: short stacking energy: -423.756
Base-Backbone interact. energy: -0.754
local terms energy: -455.754627
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -88.847
flat angles C4'-P-C4' energy: -87.205
flat angles P-C4'-P energy: -67.944
tors. eta vs tors. theta energy: -102.551
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: 338
Temperature: 1.250000
Total energy: -1242.767117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.767117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.767117 (E_RNA)
where:
Base-Base interactions energy: -830.187
where: short stacking energy: -369.410
Base-Backbone interact. energy: 0.805
local terms energy: -413.385250
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -103.681
flat angles C4'-P-C4' energy: -84.147
flat angles P-C4'-P energy: -67.058
tors. eta vs tors. theta energy: -71.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1030.937140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.937140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.937140 (E_RNA)
where:
Base-Base interactions energy: -669.164
where: short stacking energy: -295.481
Base-Backbone interact. energy: 1.123
local terms energy: -362.896793
where:
bonds (distance) C4'-P energy: -74.767
bonds (distance) P-C4' energy: -94.130
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -66.316
tors. eta vs tors. theta energy: -41.297
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -876.408174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.408174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.408174 (E_RNA)
where:
Base-Base interactions energy: -561.285
where: short stacking energy: -251.554
Base-Backbone interact. energy: -0.407
local terms energy: -314.716253
where:
bonds (distance) C4'-P energy: -65.135
bonds (distance) P-C4' energy: -80.073
flat angles C4'-P-C4' energy: -64.067
flat angles P-C4'-P energy: -63.753
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: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1963.469617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.469617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.469617 (E_RNA)
where:
Base-Base interactions energy: -1389.631
where: short stacking energy: -586.335
Base-Backbone interact. energy: -3.761
local terms energy: -570.077345
where:
bonds (distance) C4'-P energy: -94.193
bonds (distance) P-C4' energy: -121.119
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -151.710
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: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1851.076469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.076469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.076469 (E_RNA)
where:
Base-Base interactions energy: -1281.658
where: short stacking energy: -546.674
Base-Backbone interact. energy: -3.236
local terms energy: -566.182100
where:
bonds (distance) C4'-P energy: -94.402
bonds (distance) P-C4' energy: -105.643
flat angles C4'-P-C4' energy: -123.606
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -151.920
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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1703.251857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.251857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.251857 (E_RNA)
where:
Base-Base interactions energy: -1176.489
where: short stacking energy: -496.180
Base-Backbone interact. energy: -1.460
local terms energy: -525.302929
where:
bonds (distance) C4'-P energy: -105.579
bonds (distance) P-C4' energy: -99.528
flat angles C4'-P-C4' energy: -117.860
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -118.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1683.703117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.703117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.703117 (E_RNA)
where:
Base-Base interactions energy: -1169.658
where: short stacking energy: -488.398
Base-Backbone interact. energy: 0.448
local terms energy: -514.492507
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -110.600
flat angles C4'-P-C4' energy: -108.912
flat angles P-C4'-P energy: -73.841
tors. eta vs tors. theta energy: -128.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1563.147379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.147379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.147379 (E_RNA)
where:
Base-Base interactions energy: -1080.163
where: short stacking energy: -455.433
Base-Backbone interact. energy: 1.015
local terms energy: -483.999244
where:
bonds (distance) C4'-P energy: -90.147
bonds (distance) P-C4' energy: -94.072
flat angles C4'-P-C4' energy: -109.420
flat angles P-C4'-P energy: -74.416
tors. eta vs tors. theta energy: -115.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1544.107633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.107633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.107633 (E_RNA)
where:
Base-Base interactions energy: -1070.013
where: short stacking energy: -449.909
Base-Backbone interact. energy: 2.640
local terms energy: -476.735183
where:
bonds (distance) C4'-P energy: -100.553
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -103.165
flat angles P-C4'-P energy: -63.630
tors. eta vs tors. theta energy: -110.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1394.177509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.177509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.177509 (E_RNA)
where:
Base-Base interactions energy: -938.802
where: short stacking energy: -393.514
Base-Backbone interact. energy: -3.769
local terms energy: -451.606445
where:
bonds (distance) C4'-P energy: -84.349
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -109.168
flat angles P-C4'-P energy: -64.904
tors. eta vs tors. theta energy: -95.357
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: 339
Temperature: 1.250000
Total energy: -1226.676018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.676018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.676018 (E_RNA)
where:
Base-Base interactions energy: -833.304
where: short stacking energy: -353.881
Base-Backbone interact. energy: 1.519
local terms energy: -394.891896
where:
bonds (distance) C4'-P energy: -85.206
bonds (distance) P-C4' energy: -88.026
flat angles C4'-P-C4' energy: -90.384
flat angles P-C4'-P energy: -53.447
tors. eta vs tors. theta energy: -77.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1040.820069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.820069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.820069 (E_RNA)
where:
Base-Base interactions energy: -673.380
where: short stacking energy: -284.813
Base-Backbone interact. energy: -2.745
local terms energy: -364.694748
where:
bonds (distance) C4'-P energy: -82.637
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -87.294
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -39.270
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: 339
Temperature: 1.350000
Total energy: -875.066949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.066949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.066949 (E_RNA)
where:
Base-Base interactions energy: -521.821
where: short stacking energy: -247.441
Base-Backbone interact. energy: 0.605
local terms energy: -353.851690
where:
bonds (distance) C4'-P energy: -91.451
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -45.976
tors. eta vs tors. theta energy: -39.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1959.747408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.747408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.747408 (E_RNA)
where:
Base-Base interactions energy: -1401.749
where: short stacking energy: -568.601
Base-Backbone interact. energy: -4.657
local terms energy: -553.341768
where:
bonds (distance) C4'-P energy: -95.015
bonds (distance) P-C4' energy: -116.129
flat angles C4'-P-C4' energy: -115.760
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -147.766
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1839.176069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.176069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.176069 (E_RNA)
where:
Base-Base interactions energy: -1290.564
where: short stacking energy: -562.848
Base-Backbone interact. energy: -0.167
local terms energy: -548.445638
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -118.512
flat angles P-C4'-P energy: -83.725
tors. eta vs tors. theta energy: -159.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1714.201520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.201520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.201520 (E_RNA)
where:
Base-Base interactions energy: -1185.777
where: short stacking energy: -502.925
Base-Backbone interact. energy: -3.279
local terms energy: -525.145614
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -111.741
flat angles C4'-P-C4' energy: -116.661
flat angles P-C4'-P energy: -89.096
tors. eta vs tors. theta energy: -115.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1705.921925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.921925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.921925 (E_RNA)
where:
Base-Base interactions energy: -1201.148
where: short stacking energy: -482.431
Base-Backbone interact. energy: -3.312
local terms energy: -501.461158
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -116.334
flat angles C4'-P-C4' energy: -107.394
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -126.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1626.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.613151 (E_RNA)
where:
Base-Base interactions energy: -1165.975
where: short stacking energy: -485.789
Base-Backbone interact. energy: -2.871
local terms energy: -457.767031
where:
bonds (distance) C4'-P energy: -87.151
bonds (distance) P-C4' energy: -83.897
flat angles C4'-P-C4' energy: -107.472
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: -120.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1543.732046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.732046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.732046 (E_RNA)
where:
Base-Base interactions energy: -1063.104
where: short stacking energy: -453.089
Base-Backbone interact. energy: 1.297
local terms energy: -481.924239
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -97.825
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -110.852
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: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1370.003552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.003552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.003552 (E_RNA)
where:
Base-Base interactions energy: -959.261
where: short stacking energy: -379.180
Base-Backbone interact. energy: 2.554
local terms energy: -413.296060
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -89.186
flat angles C4'-P-C4' energy: -93.943
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -92.729
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1206.445030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.445030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.445030 (E_RNA)
where:
Base-Base interactions energy: -814.372
where: short stacking energy: -339.563
Base-Backbone interact. energy: -4.481
local terms energy: -387.592975
where:
bonds (distance) C4'-P energy: -86.980
bonds (distance) P-C4' energy: -92.550
flat angles C4'-P-C4' energy: -92.525
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -71.878
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: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -968.769081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.769081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.769081 (E_RNA)
where:
Base-Base interactions energy: -617.545
where: short stacking energy: -284.001
Base-Backbone interact. energy: -1.470
local terms energy: -349.754474
where:
bonds (distance) C4'-P energy: -85.544
bonds (distance) P-C4' energy: -86.929
flat angles C4'-P-C4' energy: -83.111
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -36.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -858.311168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.311168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.311168 (E_RNA)
where:
Base-Base interactions energy: -536.368
where: short stacking energy: -238.559
Base-Backbone interact. energy: 1.309
local terms energy: -323.252071
where:
bonds (distance) C4'-P energy: -91.714
bonds (distance) P-C4' energy: -81.812
flat angles C4'-P-C4' energy: -83.323
flat angles P-C4'-P energy: -43.951
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1937.247068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.247068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.247068 (E_RNA)
where:
Base-Base interactions energy: -1358.981
where: short stacking energy: -561.845
Base-Backbone interact. energy: -3.343
local terms energy: -574.922877
where:
bonds (distance) C4'-P energy: -115.208
bonds (distance) P-C4' energy: -109.338
flat angles C4'-P-C4' energy: -125.622
flat angles P-C4'-P energy: -73.920
tors. eta vs tors. theta energy: -150.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1866.646291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.646291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.646291 (E_RNA)
where:
Base-Base interactions energy: -1313.272
where: short stacking energy: -546.012
Base-Backbone interact. energy: -2.937
local terms energy: -550.437043
where:
bonds (distance) C4'-P energy: -98.005
bonds (distance) P-C4' energy: -109.128
flat angles C4'-P-C4' energy: -116.206
flat angles P-C4'-P energy: -81.142
tors. eta vs tors. theta energy: -145.957
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: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1715.974495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.974495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.974495 (E_RNA)
where:
Base-Base interactions energy: -1179.490
where: short stacking energy: -511.583
Base-Backbone interact. energy: -2.741
local terms energy: -533.743055
where:
bonds (distance) C4'-P energy: -94.907
bonds (distance) P-C4' energy: -97.836
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -84.451
tors. eta vs tors. theta energy: -131.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1655.318098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.318098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.318098 (E_RNA)
where:
Base-Base interactions energy: -1132.006
where: short stacking energy: -481.236
Base-Backbone interact. energy: 4.125
local terms energy: -527.436682
where:
bonds (distance) C4'-P energy: -104.979
bonds (distance) P-C4' energy: -110.656
flat angles C4'-P-C4' energy: -117.539
flat angles P-C4'-P energy: -76.558
tors. eta vs tors. theta energy: -117.704
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1619.128046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.128046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.128046 (E_RNA)
where:
Base-Base interactions energy: -1126.987
where: short stacking energy: -435.674
Base-Backbone interact. energy: -2.781
local terms energy: -489.359665
where:
bonds (distance) C4'-P energy: -102.540
bonds (distance) P-C4' energy: -108.659
flat angles C4'-P-C4' energy: -113.755
flat angles P-C4'-P energy: -65.233
tors. eta vs tors. theta energy: -99.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1564.124631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.124631 (E_RNA)
where:
Base-Base interactions energy: -1098.554
where: short stacking energy: -460.984
Base-Backbone interact. energy: -2.717
local terms energy: -462.854250
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -89.783
flat angles C4'-P-C4' energy: -105.691
flat angles P-C4'-P energy: -70.772
tors. eta vs tors. theta energy: -119.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1384.533888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.533888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.533888 (E_RNA)
where:
Base-Base interactions energy: -960.810
where: short stacking energy: -407.795
Base-Backbone interact. energy: -1.748
local terms energy: -421.975025
where:
bonds (distance) C4'-P energy: -84.075
bonds (distance) P-C4' energy: -83.038
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -94.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1225.619336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.619336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.619336 (E_RNA)
where:
Base-Base interactions energy: -807.492
where: short stacking energy: -344.905
Base-Backbone interact. energy: 3.967
local terms energy: -422.094228
where:
bonds (distance) C4'-P energy: -90.886
bonds (distance) P-C4' energy: -102.237
flat angles C4'-P-C4' energy: -101.232
flat angles P-C4'-P energy: -52.693
tors. eta vs tors. theta energy: -75.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -904.885223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.885223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.885223 (E_RNA)
where:
Base-Base interactions energy: -557.283
where: short stacking energy: -242.757
Base-Backbone interact. energy: -1.826
local terms energy: -345.776908
where:
bonds (distance) C4'-P energy: -98.092
bonds (distance) P-C4' energy: -84.580
flat angles C4'-P-C4' energy: -81.622
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -32.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -874.408356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.408356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.408356 (E_RNA)
where:
Base-Base interactions energy: -532.172
where: short stacking energy: -257.464
Base-Backbone interact. energy: -1.611
local terms energy: -340.625008
where:
bonds (distance) C4'-P energy: -85.741
bonds (distance) P-C4' energy: -79.890
flat angles C4'-P-C4' energy: -93.961
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1963.401420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.401420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.401420 (E_RNA)
where:
Base-Base interactions energy: -1405.811
where: short stacking energy: -566.064
Base-Backbone interact. energy: -2.529
local terms energy: -555.061006
where:
bonds (distance) C4'-P energy: -95.391
bonds (distance) P-C4' energy: -102.628
flat angles C4'-P-C4' energy: -120.501
flat angles P-C4'-P energy: -87.329
tors. eta vs tors. theta energy: -149.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1858.595971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.595971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.595971 (E_RNA)
where:
Base-Base interactions energy: -1283.446
where: short stacking energy: -540.066
Base-Backbone interact. energy: -1.021
local terms energy: -574.129072
where:
bonds (distance) C4'-P energy: -115.347
bonds (distance) P-C4' energy: -106.050
flat angles C4'-P-C4' energy: -121.032
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -149.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1716.211086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.211086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.211086 (E_RNA)
where:
Base-Base interactions energy: -1171.889
where: short stacking energy: -475.891
Base-Backbone interact. energy: -2.844
local terms energy: -541.478970
where:
bonds (distance) C4'-P energy: -96.996
bonds (distance) P-C4' energy: -109.074
flat angles C4'-P-C4' energy: -130.989
flat angles P-C4'-P energy: -77.975
tors. eta vs tors. theta energy: -126.444
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: 342
Temperature: 1.050000
Total energy: -1685.424057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.424057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.424057 (E_RNA)
where:
Base-Base interactions energy: -1146.229
where: short stacking energy: -504.444
Base-Backbone interact. energy: 0.081
local terms energy: -539.275788
where:
bonds (distance) C4'-P energy: -105.664
bonds (distance) P-C4' energy: -104.975
flat angles C4'-P-C4' energy: -123.546
flat angles P-C4'-P energy: -75.271
tors. eta vs tors. theta energy: -129.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1634.054364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.054364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.054364 (E_RNA)
where:
Base-Base interactions energy: -1164.137
where: short stacking energy: -460.415
Base-Backbone interact. energy: -1.572
local terms energy: -468.346187
where:
bonds (distance) C4'-P energy: -72.102
bonds (distance) P-C4' energy: -101.558
flat angles C4'-P-C4' energy: -102.938
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -111.564
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: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1549.625807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.625807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.625807 (E_RNA)
where:
Base-Base interactions energy: -1049.424
where: short stacking energy: -427.796
Base-Backbone interact. energy: -0.236
local terms energy: -499.966391
where:
bonds (distance) C4'-P energy: -85.275
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -114.272
flat angles P-C4'-P energy: -77.833
tors. eta vs tors. theta energy: -117.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1393.576689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.576689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.576689 (E_RNA)
where:
Base-Base interactions energy: -958.836
where: short stacking energy: -392.479
Base-Backbone interact. energy: -0.557
local terms energy: -434.184168
where:
bonds (distance) C4'-P energy: -88.740
bonds (distance) P-C4' energy: -85.772
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -61.728
tors. eta vs tors. theta energy: -98.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1229.129871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.129871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.129871 (E_RNA)
where:
Base-Base interactions energy: -834.820
where: short stacking energy: -378.214
Base-Backbone interact. energy: -0.470
local terms energy: -393.839919
where:
bonds (distance) C4'-P energy: -73.459
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -93.200
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -76.726
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: 342
Temperature: 1.300000
Total energy: -970.497415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.497415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.497415 (E_RNA)
where:
Base-Base interactions energy: -608.817
where: short stacking energy: -308.448
Base-Backbone interact. energy: -0.076
local terms energy: -361.604087
where:
bonds (distance) C4'-P energy: -86.231
bonds (distance) P-C4' energy: -85.897
flat angles C4'-P-C4' energy: -83.190
flat angles P-C4'-P energy: -53.540
tors. eta vs tors. theta energy: -52.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -862.238389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.238389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.238389 (E_RNA)
where:
Base-Base interactions energy: -531.660
where: short stacking energy: -250.244
Base-Backbone interact. energy: 11.278
local terms energy: -341.856638
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -98.211
flat angles C4'-P-C4' energy: -79.821
flat angles P-C4'-P energy: -64.758
tors. eta vs tors. theta energy: -31.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1961.257970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.257970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.257970 (E_RNA)
where:
Base-Base interactions energy: -1394.080
where: short stacking energy: -571.446
Base-Backbone interact. energy: -3.533
local terms energy: -563.644893
where:
bonds (distance) C4'-P energy: -97.859
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -124.469
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -149.420
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: 343
Temperature: 0.950000
Total energy: -1863.794364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.794364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.794364 (E_RNA)
where:
Base-Base interactions energy: -1294.458
where: short stacking energy: -560.600
Base-Backbone interact. energy: -2.159
local terms energy: -567.177537
where:
bonds (distance) C4'-P energy: -110.786
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -124.283
flat angles P-C4'-P energy: -67.758
tors. eta vs tors. theta energy: -159.126
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: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1737.269916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.269916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.269916 (E_RNA)
where:
Base-Base interactions energy: -1221.597
where: short stacking energy: -530.334
Base-Backbone interact. energy: -2.753
local terms energy: -512.919932
where:
bonds (distance) C4'-P energy: -111.468
bonds (distance) P-C4' energy: -89.608
flat angles C4'-P-C4' energy: -115.037
flat angles P-C4'-P energy: -55.524
tors. eta vs tors. theta energy: -141.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1679.849911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.849911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.849911 (E_RNA)
where:
Base-Base interactions energy: -1160.319
where: short stacking energy: -471.441
Base-Backbone interact. energy: -0.736
local terms energy: -518.795335
where:
bonds (distance) C4'-P energy: -96.337
bonds (distance) P-C4' energy: -108.085
flat angles C4'-P-C4' energy: -113.017
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -121.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1604.697478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.697478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.697478 (E_RNA)
where:
Base-Base interactions energy: -1083.206
where: short stacking energy: -478.283
Base-Backbone interact. energy: -0.984
local terms energy: -520.508099
where:
bonds (distance) C4'-P energy: -79.336
bonds (distance) P-C4' energy: -93.707
flat angles C4'-P-C4' energy: -128.456
flat angles P-C4'-P energy: -80.752
tors. eta vs tors. theta energy: -138.258
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: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1488.256853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.256853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.256853 (E_RNA)
where:
Base-Base interactions energy: -1042.211
where: short stacking energy: -421.891
Base-Backbone interact. energy: -0.225
local terms energy: -445.820897
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -77.819
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -62.944
tors. eta vs tors. theta energy: -107.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1415.927322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.927322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.927322 (E_RNA)
where:
Base-Base interactions energy: -977.241
where: short stacking energy: -407.538
Base-Backbone interact. energy: -1.250
local terms energy: -437.436826
where:
bonds (distance) C4'-P energy: -73.867
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -99.443
flat angles P-C4'-P energy: -62.496
tors. eta vs tors. theta energy: -103.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1239.147452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.147452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.147452 (E_RNA)
where:
Base-Base interactions energy: -839.965
where: short stacking energy: -370.667
Base-Backbone interact. energy: -1.459
local terms energy: -397.723231
where:
bonds (distance) C4'-P energy: -90.280
bonds (distance) P-C4' energy: -85.456
flat angles C4'-P-C4' energy: -84.863
flat angles P-C4'-P energy: -50.758
tors. eta vs tors. theta energy: -86.367
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: 343
Temperature: 1.300000
Total energy: -1001.099389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.099389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.099389 (E_RNA)
where:
Base-Base interactions energy: -644.556
where: short stacking energy: -276.047
Base-Backbone interact. energy: -3.377
local terms energy: -353.166425
where:
bonds (distance) C4'-P energy: -80.930
bonds (distance) P-C4' energy: -88.096
flat angles C4'-P-C4' energy: -91.854
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -47.392
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: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -871.181217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.181217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.181217 (E_RNA)
where:
Base-Base interactions energy: -548.645
where: short stacking energy: -250.741
Base-Backbone interact. energy: 0.245
local terms energy: -322.781236
where:
bonds (distance) C4'-P energy: -83.655
bonds (distance) P-C4' energy: -84.467
flat angles C4'-P-C4' energy: -90.264
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -23.927
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: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1972.859423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.859423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.859423 (E_RNA)
where:
Base-Base interactions energy: -1382.144
where: short stacking energy: -564.906
Base-Backbone interact. energy: -4.709
local terms energy: -586.006896
where:
bonds (distance) C4'-P energy: -107.929
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -131.445
flat angles P-C4'-P energy: -88.940
tors. eta vs tors. theta energy: -148.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1847.582931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.582931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.582931 (E_RNA)
where:
Base-Base interactions energy: -1313.239
where: short stacking energy: -553.308
Base-Backbone interact. energy: -2.536
local terms energy: -531.807016
where:
bonds (distance) C4'-P energy: -98.076
bonds (distance) P-C4' energy: -107.185
flat angles C4'-P-C4' energy: -118.698
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -150.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1732.770753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.770753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.770753 (E_RNA)
where:
Base-Base interactions energy: -1208.017
where: short stacking energy: -511.430
Base-Backbone interact. energy: -2.604
local terms energy: -522.149275
where:
bonds (distance) C4'-P energy: -100.591
bonds (distance) P-C4' energy: -89.065
flat angles C4'-P-C4' energy: -113.346
flat angles P-C4'-P energy: -73.757
tors. eta vs tors. theta energy: -145.391
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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1693.452471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.452471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.452471 (E_RNA)
where:
Base-Base interactions energy: -1162.419
where: short stacking energy: -482.773
Base-Backbone interact. energy: -4.206
local terms energy: -526.827596
where:
bonds (distance) C4'-P energy: -102.465
bonds (distance) P-C4' energy: -105.611
flat angles C4'-P-C4' energy: -105.871
flat angles P-C4'-P energy: -84.524
tors. eta vs tors. theta energy: -128.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1623.391060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.391060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.391060 (E_RNA)
where:
Base-Base interactions energy: -1111.979
where: short stacking energy: -457.586
Base-Backbone interact. energy: -2.687
local terms energy: -508.725169
where:
bonds (distance) C4'-P energy: -98.528
bonds (distance) P-C4' energy: -101.724
flat angles C4'-P-C4' energy: -114.369
flat angles P-C4'-P energy: -75.621
tors. eta vs tors. theta energy: -118.483
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: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1500.235750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.235750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.235750 (E_RNA)
where:
Base-Base interactions energy: -1028.794
where: short stacking energy: -422.833
Base-Backbone interact. energy: -1.520
local terms energy: -469.922098
where:
bonds (distance) C4'-P energy: -83.046
bonds (distance) P-C4' energy: -103.827
flat angles C4'-P-C4' energy: -98.870
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -111.390
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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1395.848796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.848796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.848796 (E_RNA)
where:
Base-Base interactions energy: -977.227
where: short stacking energy: -406.953
Base-Backbone interact. energy: -0.784
local terms energy: -417.838170
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -84.527
flat angles C4'-P-C4' energy: -101.347
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -88.829
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: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1274.128263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.128263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.128263 (E_RNA)
where:
Base-Base interactions energy: -857.606
where: short stacking energy: -366.622
Base-Backbone interact. energy: -1.682
local terms energy: -414.840011
where:
bonds (distance) C4'-P energy: -84.396
bonds (distance) P-C4' energy: -91.021
flat angles C4'-P-C4' energy: -105.179
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -81.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1022.681078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.681078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.681078 (E_RNA)
where:
Base-Base interactions energy: -653.461
where: short stacking energy: -283.157
Base-Backbone interact. energy: -2.043
local terms energy: -367.176733
where:
bonds (distance) C4'-P energy: -89.366
bonds (distance) P-C4' energy: -82.632
flat angles C4'-P-C4' energy: -82.171
flat angles P-C4'-P energy: -60.042
tors. eta vs tors. theta energy: -52.966
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: 344
Temperature: 1.350000
Total energy: -809.379734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.379734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.379734 (E_RNA)
where:
Base-Base interactions energy: -485.766
where: short stacking energy: -227.082
Base-Backbone interact. energy: -1.362
local terms energy: -322.251707
where:
bonds (distance) C4'-P energy: -73.554
bonds (distance) P-C4' energy: -89.300
flat angles C4'-P-C4' energy: -79.764
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1965.082958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.082958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.082958 (E_RNA)
where:
Base-Base interactions energy: -1375.338
where: short stacking energy: -577.200
Base-Backbone interact. energy: -6.621
local terms energy: -583.123338
where:
bonds (distance) C4'-P energy: -108.373
bonds (distance) P-C4' energy: -116.767
flat angles C4'-P-C4' energy: -117.365
flat angles P-C4'-P energy: -79.197
tors. eta vs tors. theta energy: -161.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1859.678073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.678073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.678073 (E_RNA)
where:
Base-Base interactions energy: -1299.010
where: short stacking energy: -535.862
Base-Backbone interact. energy: -2.498
local terms energy: -558.170108
where:
bonds (distance) C4'-P energy: -114.821
bonds (distance) P-C4' energy: -101.445
flat angles C4'-P-C4' energy: -113.901
flat angles P-C4'-P energy: -77.114
tors. eta vs tors. theta energy: -150.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1779.807475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.807475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.807475 (E_RNA)
where:
Base-Base interactions energy: -1246.241
where: short stacking energy: -524.039
Base-Backbone interact. energy: -1.457
local terms energy: -532.109782
where:
bonds (distance) C4'-P energy: -96.694
bonds (distance) P-C4' energy: -99.348
flat angles C4'-P-C4' energy: -119.108
flat angles P-C4'-P energy: -77.198
tors. eta vs tors. theta energy: -139.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1691.037454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.037454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.037454 (E_RNA)
where:
Base-Base interactions energy: -1198.836
where: short stacking energy: -513.745
Base-Backbone interact. energy: -1.684
local terms energy: -490.517784
where:
bonds (distance) C4'-P energy: -86.091
bonds (distance) P-C4' energy: -96.009
flat angles C4'-P-C4' energy: -110.446
flat angles P-C4'-P energy: -71.925
tors. eta vs tors. theta energy: -126.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1594.498963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.498963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.498963 (E_RNA)
where:
Base-Base interactions energy: -1111.768
where: short stacking energy: -487.434
Base-Backbone interact. energy: -1.670
local terms energy: -481.060280
where:
bonds (distance) C4'-P energy: -83.240
bonds (distance) P-C4' energy: -103.139
flat angles C4'-P-C4' energy: -106.225
flat angles P-C4'-P energy: -68.604
tors. eta vs tors. theta energy: -119.853
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: 345
Temperature: 1.150000
Total energy: -1484.379075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.379075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.379075 (E_RNA)
where:
Base-Base interactions energy: -1018.232
where: short stacking energy: -393.827
Base-Backbone interact. energy: 0.385
local terms energy: -466.531822
where:
bonds (distance) C4'-P energy: -109.338
bonds (distance) P-C4' energy: -103.671
flat angles C4'-P-C4' energy: -94.417
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -89.168
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1375.276172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.276172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.276172 (E_RNA)
where:
Base-Base interactions energy: -938.452
where: short stacking energy: -397.931
Base-Backbone interact. energy: -4.342
local terms energy: -432.481840
where:
bonds (distance) C4'-P energy: -71.363
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -115.678
flat angles P-C4'-P energy: -77.151
tors. eta vs tors. theta energy: -85.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1245.590449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.590449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.590449 (E_RNA)
where:
Base-Base interactions energy: -840.323
where: short stacking energy: -366.239
Base-Backbone interact. energy: 1.939
local terms energy: -407.205872
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -96.695
flat angles C4'-P-C4' energy: -85.208
flat angles P-C4'-P energy: -68.153
tors. eta vs tors. theta energy: -80.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -991.972382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.972382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.972382 (E_RNA)
where:
Base-Base interactions energy: -649.770
where: short stacking energy: -291.102
Base-Backbone interact. energy: 1.811
local terms energy: -344.013077
where:
bonds (distance) C4'-P energy: -75.266
bonds (distance) P-C4' energy: -100.731
flat angles C4'-P-C4' energy: -88.085
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -38.471
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: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -800.221309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.221309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.221309 (E_RNA)
where:
Base-Base interactions energy: -488.130
where: short stacking energy: -220.094
Base-Backbone interact. energy: -0.228
local terms energy: -311.863183
where:
bonds (distance) C4'-P energy: -73.244
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -79.625
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -32.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1954.599468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.599468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.599468 (E_RNA)
where:
Base-Base interactions energy: -1403.127
where: short stacking energy: -583.367
Base-Backbone interact. energy: -0.570
local terms energy: -550.902736
where:
bonds (distance) C4'-P energy: -86.854
bonds (distance) P-C4' energy: -117.697
flat angles C4'-P-C4' energy: -108.904
flat angles P-C4'-P energy: -84.252
tors. eta vs tors. theta energy: -153.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1851.603126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.603126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.603126 (E_RNA)
where:
Base-Base interactions energy: -1299.818
where: short stacking energy: -529.844
Base-Backbone interact. energy: -4.222
local terms energy: -547.562419
where:
bonds (distance) C4'-P energy: -103.162
bonds (distance) P-C4' energy: -116.041
flat angles C4'-P-C4' energy: -116.674
flat angles P-C4'-P energy: -77.460
tors. eta vs tors. theta energy: -134.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1763.552178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.552178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.552178 (E_RNA)
where:
Base-Base interactions energy: -1209.292
where: short stacking energy: -516.947
Base-Backbone interact. energy: -1.608
local terms energy: -552.651878
where:
bonds (distance) C4'-P energy: -109.343
bonds (distance) P-C4' energy: -112.312
flat angles C4'-P-C4' energy: -105.596
flat angles P-C4'-P energy: -85.564
tors. eta vs tors. theta energy: -139.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1699.341016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.341016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.341016 (E_RNA)
where:
Base-Base interactions energy: -1200.605
where: short stacking energy: -494.207
Base-Backbone interact. energy: 2.795
local terms energy: -501.531300
where:
bonds (distance) C4'-P energy: -90.771
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -104.348
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -128.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1593.017726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.017726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.017726 (E_RNA)
where:
Base-Base interactions energy: -1125.075
where: short stacking energy: -476.244
Base-Backbone interact. energy: 1.748
local terms energy: -469.690195
where:
bonds (distance) C4'-P energy: -93.086
bonds (distance) P-C4' energy: -94.670
flat angles C4'-P-C4' energy: -102.730
flat angles P-C4'-P energy: -61.189
tors. eta vs tors. theta energy: -118.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1490.642807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.642807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.642807 (E_RNA)
where:
Base-Base interactions energy: -1030.437
where: short stacking energy: -425.274
Base-Backbone interact. energy: 0.003
local terms energy: -460.208492
where:
bonds (distance) C4'-P energy: -97.924
bonds (distance) P-C4' energy: -81.361
flat angles C4'-P-C4' energy: -115.844
flat angles P-C4'-P energy: -65.519
tors. eta vs tors. theta energy: -99.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1416.142938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.142938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.142938 (E_RNA)
where:
Base-Base interactions energy: -970.092
where: short stacking energy: -403.309
Base-Backbone interact. energy: -2.755
local terms energy: -443.295935
where:
bonds (distance) C4'-P energy: -83.913
bonds (distance) P-C4' energy: -95.430
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -94.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1255.904152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.904152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.904152 (E_RNA)
where:
Base-Base interactions energy: -841.452
where: short stacking energy: -343.466
Base-Backbone interact. energy: 1.196
local terms energy: -415.648402
where:
bonds (distance) C4'-P energy: -72.156
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -90.968
flat angles P-C4'-P energy: -71.862
tors. eta vs tors. theta energy: -82.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1010.459036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.459036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.459036 (E_RNA)
where:
Base-Base interactions energy: -643.850
where: short stacking energy: -251.270
Base-Backbone interact. energy: 0.513
local terms energy: -367.122672
where:
bonds (distance) C4'-P energy: -79.174
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -83.543
flat angles P-C4'-P energy: -63.694
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -786.358540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.358540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.358540 (E_RNA)
where:
Base-Base interactions energy: -488.843
where: short stacking energy: -222.812
Base-Backbone interact. energy: 0.234
local terms energy: -297.749348
where:
bonds (distance) C4'-P energy: -94.581
bonds (distance) P-C4' energy: -86.114
flat angles C4'-P-C4' energy: -77.390
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1954.384675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.384675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.384675 (E_RNA)
where:
Base-Base interactions energy: -1410.551
where: short stacking energy: -582.669
Base-Backbone interact. energy: 2.368
local terms energy: -546.201111
where:
bonds (distance) C4'-P energy: -86.577
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -123.982
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -155.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1865.433329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.433329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.433329 (E_RNA)
where:
Base-Base interactions energy: -1303.621
where: short stacking energy: -551.841
Base-Backbone interact. energy: 0.414
local terms energy: -562.226869
where:
bonds (distance) C4'-P energy: -107.565
bonds (distance) P-C4' energy: -102.680
flat angles C4'-P-C4' energy: -115.572
flat angles P-C4'-P energy: -77.682
tors. eta vs tors. theta energy: -158.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1738.942071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.942071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.942071 (E_RNA)
where:
Base-Base interactions energy: -1180.351
where: short stacking energy: -499.576
Base-Backbone interact. energy: -0.297
local terms energy: -558.293700
where:
bonds (distance) C4'-P energy: -106.487
bonds (distance) P-C4' energy: -117.820
flat angles C4'-P-C4' energy: -123.685
flat angles P-C4'-P energy: -88.298
tors. eta vs tors. theta energy: -122.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1673.463623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.463623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.463623 (E_RNA)
where:
Base-Base interactions energy: -1163.871
where: short stacking energy: -501.332
Base-Backbone interact. energy: -0.557
local terms energy: -509.035135
where:
bonds (distance) C4'-P energy: -102.655
bonds (distance) P-C4' energy: -97.184
flat angles C4'-P-C4' energy: -113.155
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -123.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1623.966971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.966971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.966971 (E_RNA)
where:
Base-Base interactions energy: -1133.683
where: short stacking energy: -467.368
Base-Backbone interact. energy: 0.577
local terms energy: -490.861361
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -103.023
flat angles C4'-P-C4' energy: -106.598
flat angles P-C4'-P energy: -76.313
tors. eta vs tors. theta energy: -117.544
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: 347
Temperature: 1.150000
Total energy: -1514.102078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.102078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.102078 (E_RNA)
where:
Base-Base interactions energy: -1066.120
where: short stacking energy: -441.965
Base-Backbone interact. energy: -0.637
local terms energy: -447.345504
where:
bonds (distance) C4'-P energy: -84.272
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -106.029
flat angles P-C4'-P energy: -49.882
tors. eta vs tors. theta energy: -115.398
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: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1427.145717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.145717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.145717 (E_RNA)
where:
Base-Base interactions energy: -973.866
where: short stacking energy: -393.871
Base-Backbone interact. energy: -3.074
local terms energy: -450.205451
where:
bonds (distance) C4'-P energy: -91.894
bonds (distance) P-C4' energy: -105.317
flat angles C4'-P-C4' energy: -94.327
flat angles P-C4'-P energy: -67.496
tors. eta vs tors. theta energy: -91.171
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: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1211.751886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.751886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.751886 (E_RNA)
where:
Base-Base interactions energy: -787.145
where: short stacking energy: -341.066
Base-Backbone interact. energy: -0.247
local terms energy: -424.358903
where:
bonds (distance) C4'-P energy: -85.530
bonds (distance) P-C4' energy: -95.424
flat angles C4'-P-C4' energy: -99.256
flat angles P-C4'-P energy: -73.539
tors. eta vs tors. theta energy: -70.610
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: 347
Temperature: 1.300000
Total energy: -1041.153152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.153152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.153152 (E_RNA)
where:
Base-Base interactions energy: -650.277
where: short stacking energy: -323.121
Base-Backbone interact. energy: -1.883
local terms energy: -388.993409
where:
bonds (distance) C4'-P energy: -86.485
bonds (distance) P-C4' energy: -93.608
flat angles C4'-P-C4' energy: -100.381
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -59.179
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: 347
Temperature: 1.350000
Total energy: -816.191101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.191101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.191101 (E_RNA)
where:
Base-Base interactions energy: -496.316
where: short stacking energy: -262.485
Base-Backbone interact. energy: 2.218
local terms energy: -322.093844
where:
bonds (distance) C4'-P energy: -64.208
bonds (distance) P-C4' energy: -77.395
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -53.333
tors. eta vs tors. theta energy: -37.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1978.826618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.826618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.826618 (E_RNA)
where:
Base-Base interactions energy: -1396.757
where: short stacking energy: -568.844
Base-Backbone interact. energy: -2.300
local terms energy: -579.770155
where:
bonds (distance) C4'-P energy: -110.333
bonds (distance) P-C4' energy: -114.074
flat angles C4'-P-C4' energy: -131.426
flat angles P-C4'-P energy: -73.400
tors. eta vs tors. theta energy: -150.536
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: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1871.875675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.875675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.875675 (E_RNA)
where:
Base-Base interactions energy: -1300.402
where: short stacking energy: -535.471
Base-Backbone interact. energy: -3.272
local terms energy: -568.201805
where:
bonds (distance) C4'-P energy: -103.136
bonds (distance) P-C4' energy: -112.175
flat angles C4'-P-C4' energy: -118.643
flat angles P-C4'-P energy: -77.455
tors. eta vs tors. theta energy: -156.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1736.088325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.088325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.088325 (E_RNA)
where:
Base-Base interactions energy: -1199.469
where: short stacking energy: -512.903
Base-Backbone interact. energy: -3.126
local terms energy: -533.492700
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -110.589
flat angles C4'-P-C4' energy: -121.589
flat angles P-C4'-P energy: -75.987
tors. eta vs tors. theta energy: -126.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1678.541520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.541520 (E_RNA)
where:
Base-Base interactions energy: -1168.769
where: short stacking energy: -505.720
Base-Backbone interact. energy: -2.889
local terms energy: -506.883634
where:
bonds (distance) C4'-P energy: -94.779
bonds (distance) P-C4' energy: -93.336
flat angles C4'-P-C4' energy: -112.711
flat angles P-C4'-P energy: -68.335
tors. eta vs tors. theta energy: -137.723
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1597.865221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.865221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.865221 (E_RNA)
where:
Base-Base interactions energy: -1111.149
where: short stacking energy: -436.137
Base-Backbone interact. energy: -2.252
local terms energy: -484.463887
where:
bonds (distance) C4'-P energy: -98.749
bonds (distance) P-C4' energy: -100.059
flat angles C4'-P-C4' energy: -103.084
flat angles P-C4'-P energy: -69.679
tors. eta vs tors. theta energy: -112.892
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: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1534.639084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.639084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.639084 (E_RNA)
where:
Base-Base interactions energy: -1051.581
where: short stacking energy: -462.559
Base-Backbone interact. energy: -0.187
local terms energy: -482.871384
where:
bonds (distance) C4'-P energy: -100.048
bonds (distance) P-C4' energy: -104.910
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -118.857
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: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1451.571313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.571313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.571313 (E_RNA)
where:
Base-Base interactions energy: -1017.680
where: short stacking energy: -410.476
Base-Backbone interact. energy: -3.452
local terms energy: -430.439225
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -83.097
flat angles C4'-P-C4' energy: -89.388
flat angles P-C4'-P energy: -72.095
tors. eta vs tors. theta energy: -96.042
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1208.417583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.417583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.417583 (E_RNA)
where:
Base-Base interactions energy: -816.755
where: short stacking energy: -377.398
Base-Backbone interact. energy: -2.401
local terms energy: -389.261200
where:
bonds (distance) C4'-P energy: -95.100
bonds (distance) P-C4' energy: -84.771
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -63.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1061.195780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.195780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.195780 (E_RNA)
where:
Base-Base interactions energy: -672.242
where: short stacking energy: -302.550
Base-Backbone interact. energy: 1.631
local terms energy: -390.584053
where:
bonds (distance) C4'-P energy: -77.165
bonds (distance) P-C4' energy: -94.126
flat angles C4'-P-C4' energy: -97.018
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -55.343
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: 348
Temperature: 1.350000
Total energy: -868.267123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.267123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.267123 (E_RNA)
where:
Base-Base interactions energy: -529.604
where: short stacking energy: -261.250
Base-Backbone interact. energy: -1.645
local terms energy: -337.017874
where:
bonds (distance) C4'-P energy: -95.201
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -82.427
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -38.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1956.283341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.283341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.283341 (E_RNA)
where:
Base-Base interactions energy: -1399.541
where: short stacking energy: -575.861
Base-Backbone interact. energy: -0.920
local terms energy: -555.822039
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -109.282
flat angles C4'-P-C4' energy: -120.655
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -152.675
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: 349
Temperature: 0.950000
Total energy: -1857.929761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.929761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.929761 (E_RNA)
where:
Base-Base interactions energy: -1291.039
where: short stacking energy: -571.202
Base-Backbone interact. energy: -0.888
local terms energy: -566.002616
where:
bonds (distance) C4'-P energy: -109.074
bonds (distance) P-C4' energy: -102.449
flat angles C4'-P-C4' energy: -126.331
flat angles P-C4'-P energy: -71.705
tors. eta vs tors. theta energy: -156.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1764.276448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.276448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.276448 (E_RNA)
where:
Base-Base interactions energy: -1213.465
where: short stacking energy: -524.776
Base-Backbone interact. energy: -0.626
local terms energy: -550.186125
where:
bonds (distance) C4'-P energy: -92.935
bonds (distance) P-C4' energy: -113.669
flat angles C4'-P-C4' energy: -113.635
flat angles P-C4'-P energy: -85.321
tors. eta vs tors. theta energy: -144.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1714.120381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.120381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.120381 (E_RNA)
where:
Base-Base interactions energy: -1175.698
where: short stacking energy: -491.058
Base-Backbone interact. energy: -1.220
local terms energy: -537.202142
where:
bonds (distance) C4'-P energy: -96.630
bonds (distance) P-C4' energy: -108.419
flat angles C4'-P-C4' energy: -112.077
flat angles P-C4'-P energy: -82.351
tors. eta vs tors. theta energy: -137.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1582.987928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.987928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.987928 (E_RNA)
where:
Base-Base interactions energy: -1102.071
where: short stacking energy: -450.097
Base-Backbone interact. energy: -0.011
local terms energy: -480.906461
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -102.856
flat angles C4'-P-C4' energy: -109.768
flat angles P-C4'-P energy: -78.585
tors. eta vs tors. theta energy: -106.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1581.251853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.251853 (E_RNA)
where:
Base-Base interactions energy: -1090.058
where: short stacking energy: -457.119
Base-Backbone interact. energy: -1.408
local terms energy: -489.786168
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -81.983
flat angles C4'-P-C4' energy: -104.529
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -118.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1426.326664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.326664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.326664 (E_RNA)
where:
Base-Base interactions energy: -984.419
where: short stacking energy: -396.230
Base-Backbone interact. energy: 2.006
local terms energy: -443.914268
where:
bonds (distance) C4'-P energy: -96.121
bonds (distance) P-C4' energy: -99.320
flat angles C4'-P-C4' energy: -100.022
flat angles P-C4'-P energy: -57.599
tors. eta vs tors. theta energy: -90.852
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1210.349627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.349627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.349627 (E_RNA)
where:
Base-Base interactions energy: -803.544
where: short stacking energy: -345.223
Base-Backbone interact. energy: -0.192
local terms energy: -406.613601
where:
bonds (distance) C4'-P energy: -87.054
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -94.930
flat angles P-C4'-P energy: -58.642
tors. eta vs tors. theta energy: -75.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1068.675427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.675427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.675427 (E_RNA)
where:
Base-Base interactions energy: -691.247
where: short stacking energy: -311.843
Base-Backbone interact. energy: -1.220
local terms energy: -376.207690
where:
bonds (distance) C4'-P energy: -79.015
bonds (distance) P-C4' energy: -83.386
flat angles C4'-P-C4' energy: -93.436
flat angles P-C4'-P energy: -55.281
tors. eta vs tors. theta energy: -65.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -846.868812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.868812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.868812 (E_RNA)
where:
Base-Base interactions energy: -522.086
where: short stacking energy: -229.697
Base-Backbone interact. energy: 2.142
local terms energy: -326.924645
where:
bonds (distance) C4'-P energy: -75.848
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1949.744637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.744637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.744637 (E_RNA)
where:
Base-Base interactions energy: -1374.028
where: short stacking energy: -559.032
Base-Backbone interact. energy: -2.514
local terms energy: -573.203111
where:
bonds (distance) C4'-P energy: -102.973
bonds (distance) P-C4' energy: -104.774
flat angles C4'-P-C4' energy: -127.074
flat angles P-C4'-P energy: -82.686
tors. eta vs tors. theta energy: -155.695
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: 350
Temperature: 0.950000
Total energy: -1847.180744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.180744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.180744 (E_RNA)
where:
Base-Base interactions energy: -1290.177
where: short stacking energy: -555.072
Base-Backbone interact. energy: -1.191
local terms energy: -555.812640
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -102.720
flat angles C4'-P-C4' energy: -116.364
flat angles P-C4'-P energy: -88.969
tors. eta vs tors. theta energy: -150.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1741.533493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.533493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.533493 (E_RNA)
where:
Base-Base interactions energy: -1196.897
where: short stacking energy: -522.611
Base-Backbone interact. energy: -2.858
local terms energy: -541.778652
where:
bonds (distance) C4'-P energy: -102.380
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -110.629
flat angles P-C4'-P energy: -90.909
tors. eta vs tors. theta energy: -134.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1756.685984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.685984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.685984 (E_RNA)
where:
Base-Base interactions energy: -1212.549
where: short stacking energy: -517.783
Base-Backbone interact. energy: -2.661
local terms energy: -541.476063
where:
bonds (distance) C4'-P energy: -97.794
bonds (distance) P-C4' energy: -106.452
flat angles C4'-P-C4' energy: -113.591
flat angles P-C4'-P energy: -81.863
tors. eta vs tors. theta energy: -141.775
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: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1616.929125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.929125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.929125 (E_RNA)
where:
Base-Base interactions energy: -1129.283
where: short stacking energy: -481.732
Base-Backbone interact. energy: -2.772
local terms energy: -484.874143
where:
bonds (distance) C4'-P energy: -81.189
bonds (distance) P-C4' energy: -97.891
flat angles C4'-P-C4' energy: -111.583
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -121.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1525.136441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.136441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.136441 (E_RNA)
where:
Base-Base interactions energy: -1074.836
where: short stacking energy: -441.190
Base-Backbone interact. energy: -0.907
local terms energy: -449.393480
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -87.315
flat angles C4'-P-C4' energy: -99.686
flat angles P-C4'-P energy: -72.756
tors. eta vs tors. theta energy: -102.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1424.709522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.709522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.709522 (E_RNA)
where:
Base-Base interactions energy: -983.300
where: short stacking energy: -429.069
Base-Backbone interact. energy: 1.512
local terms energy: -442.921406
where:
bonds (distance) C4'-P energy: -78.898
bonds (distance) P-C4' energy: -104.534
flat angles C4'-P-C4' energy: -103.168
flat angles P-C4'-P energy: -57.326
tors. eta vs tors. theta energy: -98.994
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: 350
Temperature: 1.250000
Total energy: -1236.759655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.759655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.759655 (E_RNA)
where:
Base-Base interactions energy: -832.241
where: short stacking energy: -346.614
Base-Backbone interact. energy: -1.673
local terms energy: -402.845255
where:
bonds (distance) C4'-P energy: -81.953
bonds (distance) P-C4' energy: -89.941
flat angles C4'-P-C4' energy: -89.097
flat angles P-C4'-P energy: -59.979
tors. eta vs tors. theta energy: -81.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1038.578650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.578650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.578650 (E_RNA)
where:
Base-Base interactions energy: -667.495
where: short stacking energy: -282.203
Base-Backbone interact. energy: -0.329
local terms energy: -370.754823
where:
bonds (distance) C4'-P energy: -102.097
bonds (distance) P-C4' energy: -93.117
flat angles C4'-P-C4' energy: -74.571
flat angles P-C4'-P energy: -53.120
tors. eta vs tors. theta energy: -47.851
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: 350
Temperature: 1.350000
Total energy: -820.604923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.604923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.604923 (E_RNA)
where:
Base-Base interactions energy: -497.960
where: short stacking energy: -237.727
Base-Backbone interact. energy: -1.497
local terms energy: -321.147755
where:
bonds (distance) C4'-P energy: -74.862
bonds (distance) P-C4' energy: -97.634
flat angles C4'-P-C4' energy: -79.214
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1956.201360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.201360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.201360 (E_RNA)
where:
Base-Base interactions energy: -1385.930
where: short stacking energy: -549.601
Base-Backbone interact. energy: -3.326
local terms energy: -566.945143
where:
bonds (distance) C4'-P energy: -110.200
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -119.419
flat angles P-C4'-P energy: -77.828
tors. eta vs tors. theta energy: -146.889
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: 351
Temperature: 0.950000
Total energy: -1868.752273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.752273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.752273 (E_RNA)
where:
Base-Base interactions energy: -1314.805
where: short stacking energy: -531.802
Base-Backbone interact. energy: -2.684
local terms energy: -551.262778
where:
bonds (distance) C4'-P energy: -101.844
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -127.187
flat angles P-C4'-P energy: -81.934
tors. eta vs tors. theta energy: -137.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1747.863569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.863569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.863569 (E_RNA)
where:
Base-Base interactions energy: -1231.610
where: short stacking energy: -494.404
Base-Backbone interact. energy: -3.648
local terms energy: -512.605263
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -110.356
flat angles P-C4'-P energy: -75.938
tors. eta vs tors. theta energy: -122.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1696.609242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.609242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.609242 (E_RNA)
where:
Base-Base interactions energy: -1195.514
where: short stacking energy: -477.218
Base-Backbone interact. energy: -3.437
local terms energy: -497.657988
where:
bonds (distance) C4'-P energy: -93.889
bonds (distance) P-C4' energy: -100.939
flat angles C4'-P-C4' energy: -102.387
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: -119.160
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: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1597.834769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.834769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.834769 (E_RNA)
where:
Base-Base interactions energy: -1124.738
where: short stacking energy: -455.242
Base-Backbone interact. energy: -2.765
local terms energy: -470.332114
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -91.787
flat angles C4'-P-C4' energy: -106.737
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -109.262
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: 351
Temperature: 1.150000
Total energy: -1551.983925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.983925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.983925 (E_RNA)
where:
Base-Base interactions energy: -1098.969
where: short stacking energy: -461.891
Base-Backbone interact. energy: -2.159
local terms energy: -450.855096
where:
bonds (distance) C4'-P energy: -92.584
bonds (distance) P-C4' energy: -86.666
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -63.943
tors. eta vs tors. theta energy: -120.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1523.572252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.572252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.572252 (E_RNA)
where:
Base-Base interactions energy: -1052.665
where: short stacking energy: -437.378
Base-Backbone interact. energy: -0.204
local terms energy: -470.703300
where:
bonds (distance) C4'-P energy: -108.361
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -106.299
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: -105.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1233.722145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.722145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.722145 (E_RNA)
where:
Base-Base interactions energy: -830.514
where: short stacking energy: -365.390
Base-Backbone interact. energy: -0.480
local terms energy: -402.728423
where:
bonds (distance) C4'-P energy: -80.604
bonds (distance) P-C4' energy: -94.049
flat angles C4'-P-C4' energy: -92.701
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -69.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1037.828569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.828569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.828569 (E_RNA)
where:
Base-Base interactions energy: -672.418
where: short stacking energy: -309.218
Base-Backbone interact. energy: 1.455
local terms energy: -366.866127
where:
bonds (distance) C4'-P energy: -100.398
bonds (distance) P-C4' energy: -91.698
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -44.674
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: 351
Temperature: 1.350000
Total energy: -857.080726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.080726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.080726 (E_RNA)
where:
Base-Base interactions energy: -534.442
where: short stacking energy: -262.985
Base-Backbone interact. energy: 2.295
local terms energy: -324.933344
where:
bonds (distance) C4'-P energy: -83.006
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -86.927
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -35.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1934.241737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.241737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.241737 (E_RNA)
where:
Base-Base interactions energy: -1359.168
where: short stacking energy: -538.946
Base-Backbone interact. energy: -5.079
local terms energy: -569.995344
where:
bonds (distance) C4'-P energy: -102.984
bonds (distance) P-C4' energy: -113.704
flat angles C4'-P-C4' energy: -119.495
flat angles P-C4'-P energy: -80.072
tors. eta vs tors. theta energy: -153.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1839.994684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.994684 (E_RNA)
where:
Base-Base interactions energy: -1270.570
where: short stacking energy: -544.245
Base-Backbone interact. energy: -1.076
local terms energy: -568.348508
where:
bonds (distance) C4'-P energy: -102.942
bonds (distance) P-C4' energy: -101.341
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -92.137
tors. eta vs tors. theta energy: -149.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1789.416728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.416728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.416728 (E_RNA)
where:
Base-Base interactions energy: -1240.196
where: short stacking energy: -515.351
Base-Backbone interact. energy: -2.669
local terms energy: -546.551565
where:
bonds (distance) C4'-P energy: -103.545
bonds (distance) P-C4' energy: -118.842
flat angles C4'-P-C4' energy: -111.684
flat angles P-C4'-P energy: -76.422
tors. eta vs tors. theta energy: -136.058
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: 352
Temperature: 1.050000
Total energy: -1716.349580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.349580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.349580 (E_RNA)
where:
Base-Base interactions energy: -1186.233
where: short stacking energy: -489.854
Base-Backbone interact. energy: -0.734
local terms energy: -529.382211
where:
bonds (distance) C4'-P energy: -99.464
bonds (distance) P-C4' energy: -108.341
flat angles C4'-P-C4' energy: -112.052
flat angles P-C4'-P energy: -76.902
tors. eta vs tors. theta energy: -132.623
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1599.235139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.235139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.235139 (E_RNA)
where:
Base-Base interactions energy: -1129.214
where: short stacking energy: -477.606
Base-Backbone interact. energy: -2.108
local terms energy: -467.913472
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -105.352
flat angles P-C4'-P energy: -67.592
tors. eta vs tors. theta energy: -123.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1589.350362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.350362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.350362 (E_RNA)
where:
Base-Base interactions energy: -1092.847
where: short stacking energy: -444.805
Base-Backbone interact. energy: 2.428
local terms energy: -498.931561
where:
bonds (distance) C4'-P energy: -102.209
bonds (distance) P-C4' energy: -97.929
flat angles C4'-P-C4' energy: -111.070
flat angles P-C4'-P energy: -73.584
tors. eta vs tors. theta energy: -114.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1528.947766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.947766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.947766 (E_RNA)
where:
Base-Base interactions energy: -1049.643
where: short stacking energy: -456.741
Base-Backbone interact. energy: -2.134
local terms energy: -477.170292
where:
bonds (distance) C4'-P energy: -76.769
bonds (distance) P-C4' energy: -99.550
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -70.785
tors. eta vs tors. theta energy: -121.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1192.525910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.525910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.525910 (E_RNA)
where:
Base-Base interactions energy: -807.098
where: short stacking energy: -325.400
Base-Backbone interact. energy: -2.917
local terms energy: -382.510792
where:
bonds (distance) C4'-P energy: -83.735
bonds (distance) P-C4' energy: -93.215
flat angles C4'-P-C4' energy: -78.363
flat angles P-C4'-P energy: -54.560
tors. eta vs tors. theta energy: -72.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1061.519959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.519959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.519959 (E_RNA)
where:
Base-Base interactions energy: -673.254
where: short stacking energy: -298.438
Base-Backbone interact. energy: -2.216
local terms energy: -386.050659
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -96.986
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -912.542845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.542845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.542845 (E_RNA)
where:
Base-Base interactions energy: -584.274
where: short stacking energy: -294.098
Base-Backbone interact. energy: -1.883
local terms energy: -326.385847
where:
bonds (distance) C4'-P energy: -74.780
bonds (distance) P-C4' energy: -88.199
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -37.751
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: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1959.119630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.119630 (E_RNA)
where:
Base-Base interactions energy: -1397.965
where: short stacking energy: -552.940
Base-Backbone interact. energy: -4.062
local terms energy: -557.092732
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -96.666
flat angles C4'-P-C4' energy: -121.083
flat angles P-C4'-P energy: -87.105
tors. eta vs tors. theta energy: -153.700
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: 353
Temperature: 0.950000
Total energy: -1842.342455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.342455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.342455 (E_RNA)
where:
Base-Base interactions energy: -1291.984
where: short stacking energy: -547.778
Base-Backbone interact. energy: -3.626
local terms energy: -546.732687
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -110.675
flat angles C4'-P-C4' energy: -118.544
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -146.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1752.528704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.528704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.528704 (E_RNA)
where:
Base-Base interactions energy: -1247.125
where: short stacking energy: -515.190
Base-Backbone interact. energy: -1.602
local terms energy: -503.801822
where:
bonds (distance) C4'-P energy: -85.257
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -75.409
tors. eta vs tors. theta energy: -122.226
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: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1694.407463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.407463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.407463 (E_RNA)
where:
Base-Base interactions energy: -1188.450
where: short stacking energy: -501.327
Base-Backbone interact. energy: -3.163
local terms energy: -502.793921
where:
bonds (distance) C4'-P energy: -93.412
bonds (distance) P-C4' energy: -91.450
flat angles C4'-P-C4' energy: -105.925
flat angles P-C4'-P energy: -83.158
tors. eta vs tors. theta energy: -128.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1587.357394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.357394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.357394 (E_RNA)
where:
Base-Base interactions energy: -1109.499
where: short stacking energy: -466.559
Base-Backbone interact. energy: -3.344
local terms energy: -474.514083
where:
bonds (distance) C4'-P energy: -102.517
bonds (distance) P-C4' energy: -79.792
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -66.995
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: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1562.466260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.466260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.466260 (E_RNA)
where:
Base-Base interactions energy: -1123.605
where: short stacking energy: -435.918
Base-Backbone interact. energy: 0.757
local terms energy: -439.617850
where:
bonds (distance) C4'-P energy: -76.368
bonds (distance) P-C4' energy: -82.216
flat angles C4'-P-C4' energy: -107.182
flat angles P-C4'-P energy: -68.137
tors. eta vs tors. theta energy: -105.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1440.795994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.795994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.795994 (E_RNA)
where:
Base-Base interactions energy: -979.894
where: short stacking energy: -409.432
Base-Backbone interact. energy: -2.063
local terms energy: -458.838945
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -90.271
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -77.504
tors. eta vs tors. theta energy: -108.596
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: 353
Temperature: 1.250000
Total energy: -1217.889525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.889525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.889525 (E_RNA)
where:
Base-Base interactions energy: -807.259
where: short stacking energy: -350.504
Base-Backbone interact. energy: 0.472
local terms energy: -411.102517
where:
bonds (distance) C4'-P energy: -94.375
bonds (distance) P-C4' energy: -87.541
flat angles C4'-P-C4' energy: -90.182
flat angles P-C4'-P energy: -56.962
tors. eta vs tors. theta energy: -82.043
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: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1125.515743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.515743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.515743 (E_RNA)
where:
Base-Base interactions energy: -727.864
where: short stacking energy: -332.628
Base-Backbone interact. energy: 0.479
local terms energy: -398.130724
where:
bonds (distance) C4'-P energy: -89.263
bonds (distance) P-C4' energy: -88.983
flat angles C4'-P-C4' energy: -102.158
flat angles P-C4'-P energy: -58.350
tors. eta vs tors. theta energy: -59.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -879.209461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.209461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.209461 (E_RNA)
where:
Base-Base interactions energy: -537.177
where: short stacking energy: -273.227
Base-Backbone interact. energy: 1.948
local terms energy: -343.980232
where:
bonds (distance) C4'-P energy: -90.087
bonds (distance) P-C4' energy: -70.675
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -60.564
tors. eta vs tors. theta energy: -42.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1970.187105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.187105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.187105 (E_RNA)
where:
Base-Base interactions energy: -1404.081
where: short stacking energy: -572.632
Base-Backbone interact. energy: -3.557
local terms energy: -562.549430
where:
bonds (distance) C4'-P energy: -95.428
bonds (distance) P-C4' energy: -104.956
flat angles C4'-P-C4' energy: -123.998
flat angles P-C4'-P energy: -82.446
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: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1822.777412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.777412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.777412 (E_RNA)
where:
Base-Base interactions energy: -1270.130
where: short stacking energy: -527.684
Base-Backbone interact. energy: -1.949
local terms energy: -550.697841
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -97.082
flat angles C4'-P-C4' energy: -112.682
flat angles P-C4'-P energy: -86.219
tors. eta vs tors. theta energy: -150.212
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1775.417228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.417228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.417228 (E_RNA)
where:
Base-Base interactions energy: -1252.605
where: short stacking energy: -522.299
Base-Backbone interact. energy: 0.848
local terms energy: -523.660065
where:
bonds (distance) C4'-P energy: -95.151
bonds (distance) P-C4' energy: -98.422
flat angles C4'-P-C4' energy: -122.336
flat angles P-C4'-P energy: -76.456
tors. eta vs tors. theta energy: -131.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1723.417923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.417923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.417923 (E_RNA)
where:
Base-Base interactions energy: -1214.106
where: short stacking energy: -504.732
Base-Backbone interact. energy: -0.921
local terms energy: -508.390496
where:
bonds (distance) C4'-P energy: -96.995
bonds (distance) P-C4' energy: -94.353
flat angles C4'-P-C4' energy: -103.828
flat angles P-C4'-P energy: -85.973
tors. eta vs tors. theta energy: -127.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1634.508059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.508059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.508059 (E_RNA)
where:
Base-Base interactions energy: -1160.430
where: short stacking energy: -483.180
Base-Backbone interact. energy: -2.712
local terms energy: -471.365953
where:
bonds (distance) C4'-P energy: -94.477
bonds (distance) P-C4' energy: -90.954
flat angles C4'-P-C4' energy: -111.332
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: -115.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1527.822224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.822224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.822224 (E_RNA)
where:
Base-Base interactions energy: -1049.680
where: short stacking energy: -438.402
Base-Backbone interact. energy: -2.923
local terms energy: -475.219251
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -101.386
flat angles P-C4'-P energy: -63.437
tors. eta vs tors. theta energy: -115.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1458.470627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.470627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.470627 (E_RNA)
where:
Base-Base interactions energy: -1000.834
where: short stacking energy: -404.967
Base-Backbone interact. energy: -0.353
local terms energy: -457.283837
where:
bonds (distance) C4'-P energy: -90.495
bonds (distance) P-C4' energy: -94.304
flat angles C4'-P-C4' energy: -105.909
flat angles P-C4'-P energy: -63.647
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: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1179.574353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.574353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.574353 (E_RNA)
where:
Base-Base interactions energy: -798.283
where: short stacking energy: -335.684
Base-Backbone interact. energy: 0.903
local terms energy: -382.194115
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -98.855
flat angles C4'-P-C4' energy: -90.052
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: -62.743
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: 354
Temperature: 1.300000
Total energy: -1062.574224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.574224 (E_RNA)
where:
Base-Base interactions energy: -713.510
where: short stacking energy: -328.096
Base-Backbone interact. energy: -3.519
local terms energy: -345.544830
where:
bonds (distance) C4'-P energy: -94.541
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -86.949
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -54.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -926.723767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.723767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.723767 (E_RNA)
where:
Base-Base interactions energy: -566.938
where: short stacking energy: -266.496
Base-Backbone interact. energy: -1.056
local terms energy: -358.729752
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -90.946
flat angles C4'-P-C4' energy: -104.111
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -34.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1940.518362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.518362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.518362 (E_RNA)
where:
Base-Base interactions energy: -1389.907
where: short stacking energy: -560.447
Base-Backbone interact. energy: -7.725
local terms energy: -542.885669
where:
bonds (distance) C4'-P energy: -94.353
bonds (distance) P-C4' energy: -95.933
flat angles C4'-P-C4' energy: -116.395
flat angles P-C4'-P energy: -83.545
tors. eta vs tors. theta energy: -152.660
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1840.237637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.237637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.237637 (E_RNA)
where:
Base-Base interactions energy: -1291.855
where: short stacking energy: -551.353
Base-Backbone interact. energy: -4.115
local terms energy: -544.267121
where:
bonds (distance) C4'-P energy: -84.399
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -113.926
flat angles P-C4'-P energy: -87.456
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: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1759.256938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.256938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.256938 (E_RNA)
where:
Base-Base interactions energy: -1234.743
where: short stacking energy: -537.114
Base-Backbone interact. energy: -2.435
local terms energy: -522.078234
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -96.982
flat angles C4'-P-C4' energy: -117.040
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -142.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1700.782239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.782239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.782239 (E_RNA)
where:
Base-Base interactions energy: -1193.249
where: short stacking energy: -500.718
Base-Backbone interact. energy: -1.773
local terms energy: -505.760070
where:
bonds (distance) C4'-P energy: -90.043
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -118.219
flat angles P-C4'-P energy: -73.116
tors. eta vs tors. theta energy: -128.982
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1636.116930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.116930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.116930 (E_RNA)
where:
Base-Base interactions energy: -1152.903
where: short stacking energy: -493.996
Base-Backbone interact. energy: -2.759
local terms energy: -480.454462
where:
bonds (distance) C4'-P energy: -92.428
bonds (distance) P-C4' energy: -74.478
flat angles C4'-P-C4' energy: -110.566
flat angles P-C4'-P energy: -81.083
tors. eta vs tors. theta energy: -121.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1561.985524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.985524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.985524 (E_RNA)
where:
Base-Base interactions energy: -1081.933
where: short stacking energy: -446.616
Base-Backbone interact. energy: -3.728
local terms energy: -476.324069
where:
bonds (distance) C4'-P energy: -101.853
bonds (distance) P-C4' energy: -100.776
flat angles C4'-P-C4' energy: -105.943
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -107.177
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1380.678602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.678602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.678602 (E_RNA)
where:
Base-Base interactions energy: -948.243
where: short stacking energy: -398.068
Base-Backbone interact. energy: 0.836
local terms energy: -433.271831
where:
bonds (distance) C4'-P energy: -87.826
bonds (distance) P-C4' energy: -99.134
flat angles C4'-P-C4' energy: -87.170
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -98.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1169.211975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.211975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.211975 (E_RNA)
where:
Base-Base interactions energy: -770.770
where: short stacking energy: -340.992
Base-Backbone interact. energy: -1.452
local terms energy: -396.990628
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -95.523
flat angles C4'-P-C4' energy: -87.036
flat angles P-C4'-P energy: -58.384
tors. eta vs tors. theta energy: -72.009
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: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -997.114084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.114084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.114084 (E_RNA)
where:
Base-Base interactions energy: -641.958
where: short stacking energy: -299.488
Base-Backbone interact. energy: 2.788
local terms energy: -357.943784
where:
bonds (distance) C4'-P energy: -92.059
bonds (distance) P-C4' energy: -92.289
flat angles C4'-P-C4' energy: -79.570
flat angles P-C4'-P energy: -43.017
tors. eta vs tors. theta energy: -51.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -904.092262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.092262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.092262 (E_RNA)
where:
Base-Base interactions energy: -579.688
where: short stacking energy: -282.334
Base-Backbone interact. energy: -1.508
local terms energy: -322.896312
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -89.697
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -41.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1946.450244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.450244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.450244 (E_RNA)
where:
Base-Base interactions energy: -1393.526
where: short stacking energy: -574.703
Base-Backbone interact. energy: -1.268
local terms energy: -551.655777
where:
bonds (distance) C4'-P energy: -93.910
bonds (distance) P-C4' energy: -98.491
flat angles C4'-P-C4' energy: -108.476
flat angles P-C4'-P energy: -96.074
tors. eta vs tors. theta energy: -154.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1825.368257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.368257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.368257 (E_RNA)
where:
Base-Base interactions energy: -1282.926
where: short stacking energy: -529.003
Base-Backbone interact. energy: -3.548
local terms energy: -538.894752
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -114.352
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -154.042
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: 356
Temperature: 1.000000
Total energy: -1780.100452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.100452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.100452 (E_RNA)
where:
Base-Base interactions energy: -1273.346
where: short stacking energy: -543.317
Base-Backbone interact. energy: -2.585
local terms energy: -504.169478
where:
bonds (distance) C4'-P energy: -87.188
bonds (distance) P-C4' energy: -92.687
flat angles C4'-P-C4' energy: -104.527
flat angles P-C4'-P energy: -80.943
tors. eta vs tors. theta energy: -138.826
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: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1690.561676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.561676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.561676 (E_RNA)
where:
Base-Base interactions energy: -1191.655
where: short stacking energy: -496.231
Base-Backbone interact. energy: 3.842
local terms energy: -502.748504
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -104.457
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -72.263
tors. eta vs tors. theta energy: -119.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1606.941509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.941509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.941509 (E_RNA)
where:
Base-Base interactions energy: -1142.288
where: short stacking energy: -471.277
Base-Backbone interact. energy: -1.973
local terms energy: -462.680527
where:
bonds (distance) C4'-P energy: -69.433
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -111.070
flat angles P-C4'-P energy: -73.974
tors. eta vs tors. theta energy: -111.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1586.647605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.647605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.647605 (E_RNA)
where:
Base-Base interactions energy: -1127.819
where: short stacking energy: -484.902
Base-Backbone interact. energy: -2.453
local terms energy: -456.375575
where:
bonds (distance) C4'-P energy: -80.106
bonds (distance) P-C4' energy: -88.911
flat angles C4'-P-C4' energy: -118.707
flat angles P-C4'-P energy: -54.069
tors. eta vs tors. theta energy: -114.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1445.844648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.844648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.844648 (E_RNA)
where:
Base-Base interactions energy: -998.410
where: short stacking energy: -428.614
Base-Backbone interact. energy: 4.763
local terms energy: -452.198180
where:
bonds (distance) C4'-P energy: -89.630
bonds (distance) P-C4' energy: -96.507
flat angles C4'-P-C4' energy: -105.803
flat angles P-C4'-P energy: -57.640
tors. eta vs tors. theta energy: -102.618
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1197.237727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.237727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.237727 (E_RNA)
where:
Base-Base interactions energy: -776.838
where: short stacking energy: -330.378
Base-Backbone interact. energy: 0.882
local terms energy: -421.281909
where:
bonds (distance) C4'-P energy: -82.292
bonds (distance) P-C4' energy: -97.543
flat angles C4'-P-C4' energy: -94.753
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -82.160
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: 356
Temperature: 1.300000
Total energy: -1046.505289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.505289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.505289 (E_RNA)
where:
Base-Base interactions energy: -664.955
where: short stacking energy: -299.499
Base-Backbone interact. energy: 2.128
local terms energy: -383.678164
where:
bonds (distance) C4'-P energy: -91.096
bonds (distance) P-C4' energy: -88.969
flat angles C4'-P-C4' energy: -100.055
flat angles P-C4'-P energy: -54.566
tors. eta vs tors. theta energy: -48.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -901.372628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.372628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.372628 (E_RNA)
where:
Base-Base interactions energy: -581.601
where: short stacking energy: -260.890
Base-Backbone interact. energy: 3.876
local terms energy: -323.647598
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -76.375
flat angles C4'-P-C4' energy: -88.654
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -30.226
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: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1968.557145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.557145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.557145 (E_RNA)
where:
Base-Base interactions energy: -1392.873
where: short stacking energy: -589.461
Base-Backbone interact. energy: -2.822
local terms energy: -572.861807
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -92.461
flat angles C4'-P-C4' energy: -122.121
flat angles P-C4'-P energy: -87.857
tors. eta vs tors. theta energy: -169.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1801.180660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.180660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.180660 (E_RNA)
where:
Base-Base interactions energy: -1255.645
where: short stacking energy: -526.233
Base-Backbone interact. energy: 0.653
local terms energy: -546.188495
where:
bonds (distance) C4'-P energy: -104.996
bonds (distance) P-C4' energy: -96.604
flat angles C4'-P-C4' energy: -118.403
flat angles P-C4'-P energy: -73.039
tors. eta vs tors. theta energy: -153.147
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: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1785.573269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.573269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.573269 (E_RNA)
where:
Base-Base interactions energy: -1245.414
where: short stacking energy: -527.135
Base-Backbone interact. energy: 0.291
local terms energy: -540.449436
where:
bonds (distance) C4'-P energy: -104.184
bonds (distance) P-C4' energy: -103.163
flat angles C4'-P-C4' energy: -111.463
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -144.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1654.146206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.146206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.146206 (E_RNA)
where:
Base-Base interactions energy: -1165.021
where: short stacking energy: -473.033
Base-Backbone interact. energy: -3.691
local terms energy: -485.434738
where:
bonds (distance) C4'-P energy: -94.680
bonds (distance) P-C4' energy: -97.937
flat angles C4'-P-C4' energy: -107.255
flat angles P-C4'-P energy: -70.129
tors. eta vs tors. theta energy: -115.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1636.622625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.622625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.622625 (E_RNA)
where:
Base-Base interactions energy: -1145.772
where: short stacking energy: -449.738
Base-Backbone interact. energy: -2.420
local terms energy: -488.430891
where:
bonds (distance) C4'-P energy: -86.539
bonds (distance) P-C4' energy: -109.473
flat angles C4'-P-C4' energy: -110.809
flat angles P-C4'-P energy: -61.900
tors. eta vs tors. theta energy: -119.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1565.629797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.629797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.629797 (E_RNA)
where:
Base-Base interactions energy: -1122.158
where: short stacking energy: -465.728
Base-Backbone interact. energy: 1.036
local terms energy: -444.507998
where:
bonds (distance) C4'-P energy: -93.265
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -106.035
flat angles P-C4'-P energy: -65.490
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: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1415.324408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.324408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.324408 (E_RNA)
where:
Base-Base interactions energy: -981.715
where: short stacking energy: -398.201
Base-Backbone interact. energy: 1.906
local terms energy: -435.514862
where:
bonds (distance) C4'-P energy: -84.068
bonds (distance) P-C4' energy: -90.561
flat angles C4'-P-C4' energy: -90.122
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -107.583
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: 357
Temperature: 1.250000
Total energy: -1196.885380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.885380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.885380 (E_RNA)
where:
Base-Base interactions energy: -777.038
where: short stacking energy: -347.541
Base-Backbone interact. energy: -0.343
local terms energy: -419.504692
where:
bonds (distance) C4'-P energy: -94.080
bonds (distance) P-C4' energy: -93.163
flat angles C4'-P-C4' energy: -100.049
flat angles P-C4'-P energy: -64.613
tors. eta vs tors. theta energy: -67.599
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: 357
Temperature: 1.300000
Total energy: -987.629708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.629708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.629708 (E_RNA)
where:
Base-Base interactions energy: -635.906
where: short stacking energy: -294.717
Base-Backbone interact. energy: -2.274
local terms energy: -349.449061
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -96.480
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -920.611999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.611999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.611999 (E_RNA)
where:
Base-Base interactions energy: -573.574
where: short stacking energy: -241.854
Base-Backbone interact. energy: -1.111
local terms energy: -345.926444
where:
bonds (distance) C4'-P energy: -94.430
bonds (distance) P-C4' energy: -83.038
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -36.943
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: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1987.823268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.823268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.823268 (E_RNA)
where:
Base-Base interactions energy: -1400.327
where: short stacking energy: -583.529
Base-Backbone interact. energy: -1.040
local terms energy: -586.456730
where:
bonds (distance) C4'-P energy: -101.069
bonds (distance) P-C4' energy: -109.310
flat angles C4'-P-C4' energy: -122.896
flat angles P-C4'-P energy: -89.049
tors. eta vs tors. theta energy: -164.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1780.046584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.046584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.046584 (E_RNA)
where:
Base-Base interactions energy: -1240.589
where: short stacking energy: -519.179
Base-Backbone interact. energy: 0.758
local terms energy: -540.216231
where:
bonds (distance) C4'-P energy: -92.568
bonds (distance) P-C4' energy: -100.152
flat angles C4'-P-C4' energy: -125.148
flat angles P-C4'-P energy: -84.622
tors. eta vs tors. theta energy: -137.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1790.761493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.761493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.761493 (E_RNA)
where:
Base-Base interactions energy: -1245.658
where: short stacking energy: -527.786
Base-Backbone interact. energy: -1.991
local terms energy: -543.112642
where:
bonds (distance) C4'-P energy: -96.204
bonds (distance) P-C4' energy: -112.599
flat angles C4'-P-C4' energy: -110.239
flat angles P-C4'-P energy: -81.068
tors. eta vs tors. theta energy: -143.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1680.719671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.719671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.719671 (E_RNA)
where:
Base-Base interactions energy: -1168.876
where: short stacking energy: -479.650
Base-Backbone interact. energy: -0.275
local terms energy: -511.568563
where:
bonds (distance) C4'-P energy: -94.376
bonds (distance) P-C4' energy: -107.055
flat angles C4'-P-C4' energy: -107.343
flat angles P-C4'-P energy: -76.646
tors. eta vs tors. theta energy: -126.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1617.725882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.725882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.725882 (E_RNA)
where:
Base-Base interactions energy: -1139.335
where: short stacking energy: -491.579
Base-Backbone interact. energy: 0.585
local terms energy: -478.975723
where:
bonds (distance) C4'-P energy: -85.743
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -100.475
flat angles P-C4'-P energy: -73.247
tors. eta vs tors. theta energy: -116.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1533.322910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.322910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.322910 (E_RNA)
where:
Base-Base interactions energy: -1092.683
where: short stacking energy: -462.779
Base-Backbone interact. energy: 1.025
local terms energy: -441.664752
where:
bonds (distance) C4'-P energy: -84.485
bonds (distance) P-C4' energy: -86.948
flat angles C4'-P-C4' energy: -104.997
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -107.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1390.616351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.616351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.616351 (E_RNA)
where:
Base-Base interactions energy: -929.748
where: short stacking energy: -405.472
Base-Backbone interact. energy: -0.442
local terms energy: -460.425989
where:
bonds (distance) C4'-P energy: -100.999
bonds (distance) P-C4' energy: -104.980
flat angles C4'-P-C4' energy: -100.516
flat angles P-C4'-P energy: -66.279
tors. eta vs tors. theta energy: -87.652
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: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1181.146583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.146583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.146583 (E_RNA)
where:
Base-Base interactions energy: -773.533
where: short stacking energy: -358.942
Base-Backbone interact. energy: -0.530
local terms energy: -407.083875
where:
bonds (distance) C4'-P energy: -86.074
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -100.469
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -80.047
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: 358
Temperature: 1.300000
Total energy: -1028.447391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.447391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.447391 (E_RNA)
where:
Base-Base interactions energy: -664.216
where: short stacking energy: -282.864
Base-Backbone interact. energy: -1.024
local terms energy: -363.207163
where:
bonds (distance) C4'-P energy: -92.566
bonds (distance) P-C4' energy: -83.587
flat angles C4'-P-C4' energy: -79.319
flat angles P-C4'-P energy: -66.127
tors. eta vs tors. theta energy: -41.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -935.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.800565 (E_RNA)
where:
Base-Base interactions energy: -610.031
where: short stacking energy: -281.255
Base-Backbone interact. energy: 1.432
local terms energy: -327.201999
where:
bonds (distance) C4'-P energy: -56.514
bonds (distance) P-C4' energy: -88.588
flat angles C4'-P-C4' energy: -84.524
flat angles P-C4'-P energy: -53.794
tors. eta vs tors. theta energy: -43.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1963.376431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.376431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.376431 (E_RNA)
where:
Base-Base interactions energy: -1391.712
where: short stacking energy: -577.921
Base-Backbone interact. energy: -1.802
local terms energy: -569.862533
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -105.987
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -73.744
tors. eta vs tors. theta energy: -159.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1865.848279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.848279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.848279 (E_RNA)
where:
Base-Base interactions energy: -1314.234
where: short stacking energy: -554.928
Base-Backbone interact. energy: -5.004
local terms energy: -546.609523
where:
bonds (distance) C4'-P energy: -96.460
bonds (distance) P-C4' energy: -104.956
flat angles C4'-P-C4' energy: -120.419
flat angles P-C4'-P energy: -78.568
tors. eta vs tors. theta energy: -146.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1749.996985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.996985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.996985 (E_RNA)
where:
Base-Base interactions energy: -1217.565
where: short stacking energy: -499.134
Base-Backbone interact. energy: 0.629
local terms energy: -533.060998
where:
bonds (distance) C4'-P energy: -102.683
bonds (distance) P-C4' energy: -100.741
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -131.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1722.911540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.911540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.911540 (E_RNA)
where:
Base-Base interactions energy: -1203.246
where: short stacking energy: -510.631
Base-Backbone interact. energy: 3.243
local terms energy: -522.908801
where:
bonds (distance) C4'-P energy: -98.013
bonds (distance) P-C4' energy: -105.979
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -134.969
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: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1601.035194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.035194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.035194 (E_RNA)
where:
Base-Base interactions energy: -1112.274
where: short stacking energy: -462.914
Base-Backbone interact. energy: -1.786
local terms energy: -486.975602
where:
bonds (distance) C4'-P energy: -87.585
bonds (distance) P-C4' energy: -109.498
flat angles C4'-P-C4' energy: -108.533
flat angles P-C4'-P energy: -61.887
tors. eta vs tors. theta energy: -119.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1556.898838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.898838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.898838 (E_RNA)
where:
Base-Base interactions energy: -1057.325
where: short stacking energy: -449.058
Base-Backbone interact. energy: -4.510
local terms energy: -495.063601
where:
bonds (distance) C4'-P energy: -94.412
bonds (distance) P-C4' energy: -99.495
flat angles C4'-P-C4' energy: -112.388
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -123.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1424.895955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.895955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.895955 (E_RNA)
where:
Base-Base interactions energy: -984.501
where: short stacking energy: -411.153
Base-Backbone interact. energy: 4.076
local terms energy: -444.470640
where:
bonds (distance) C4'-P energy: -74.471
bonds (distance) P-C4' energy: -86.365
flat angles C4'-P-C4' energy: -95.534
flat angles P-C4'-P energy: -74.093
tors. eta vs tors. theta energy: -114.007
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1201.393957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.393957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.393957 (E_RNA)
where:
Base-Base interactions energy: -810.639
where: short stacking energy: -346.392
Base-Backbone interact. energy: 11.271
local terms energy: -402.026381
where:
bonds (distance) C4'-P energy: -77.796
bonds (distance) P-C4' energy: -94.484
flat angles C4'-P-C4' energy: -90.628
flat angles P-C4'-P energy: -64.107
tors. eta vs tors. theta energy: -75.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1050.885418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.885418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.885418 (E_RNA)
where:
Base-Base interactions energy: -678.960
where: short stacking energy: -319.620
Base-Backbone interact. energy: -1.272
local terms energy: -370.653378
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -86.955
flat angles C4'-P-C4' energy: -69.388
flat angles P-C4'-P energy: -64.238
tors. eta vs tors. theta energy: -69.896
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: 359
Temperature: 1.350000
Total energy: -888.399248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.399248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.399248 (E_RNA)
where:
Base-Base interactions energy: -559.958
where: short stacking energy: -239.171
Base-Backbone interact. energy: -3.232
local terms energy: -325.209399
where:
bonds (distance) C4'-P energy: -79.912
bonds (distance) P-C4' energy: -91.237
flat angles C4'-P-C4' energy: -83.285
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1939.269552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.269552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.269552 (E_RNA)
where:
Base-Base interactions energy: -1378.389
where: short stacking energy: -554.574
Base-Backbone interact. energy: -2.256
local terms energy: -558.623982
where:
bonds (distance) C4'-P energy: -109.431
bonds (distance) P-C4' energy: -104.225
flat angles C4'-P-C4' energy: -115.247
flat angles P-C4'-P energy: -80.708
tors. eta vs tors. theta energy: -149.014
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: 360
Temperature: 0.950000
Total energy: -1834.924266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.924266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.924266 (E_RNA)
where:
Base-Base interactions energy: -1286.961
where: short stacking energy: -538.337
Base-Backbone interact. energy: -1.668
local terms energy: -546.294990
where:
bonds (distance) C4'-P energy: -95.279
bonds (distance) P-C4' energy: -107.807
flat angles C4'-P-C4' energy: -120.556
flat angles P-C4'-P energy: -80.686
tors. eta vs tors. theta energy: -141.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1769.909198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.909198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.909198 (E_RNA)
where:
Base-Base interactions energy: -1239.807
where: short stacking energy: -533.890
Base-Backbone interact. energy: -2.563
local terms energy: -527.538711
where:
bonds (distance) C4'-P energy: -92.506
bonds (distance) P-C4' energy: -105.998
flat angles C4'-P-C4' energy: -122.703
flat angles P-C4'-P energy: -68.464
tors. eta vs tors. theta energy: -137.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1714.091250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.091250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.091250 (E_RNA)
where:
Base-Base interactions energy: -1190.943
where: short stacking energy: -475.165
Base-Backbone interact. energy: -1.932
local terms energy: -521.216309
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -102.691
flat angles C4'-P-C4' energy: -119.547
flat angles P-C4'-P energy: -73.994
tors. eta vs tors. theta energy: -123.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1646.820299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.820299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.820299 (E_RNA)
where:
Base-Base interactions energy: -1141.959
where: short stacking energy: -475.883
Base-Backbone interact. energy: -2.144
local terms energy: -502.717347
where:
bonds (distance) C4'-P energy: -98.854
bonds (distance) P-C4' energy: -96.934
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -69.599
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1511.852620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.852620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.852620 (E_RNA)
where:
Base-Base interactions energy: -1028.583
where: short stacking energy: -447.279
Base-Backbone interact. energy: 0.735
local terms energy: -484.004577
where:
bonds (distance) C4'-P energy: -91.644
bonds (distance) P-C4' energy: -100.308
flat angles C4'-P-C4' energy: -105.355
flat angles P-C4'-P energy: -74.642
tors. eta vs tors. theta energy: -112.056
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1421.148693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.148693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.148693 (E_RNA)
where:
Base-Base interactions energy: -963.638
where: short stacking energy: -391.936
Base-Backbone interact. energy: -2.273
local terms energy: -455.237912
where:
bonds (distance) C4'-P energy: -88.353
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -95.218
flat angles P-C4'-P energy: -72.257
tors. eta vs tors. theta energy: -99.902
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: 360
Temperature: 1.250000
Total energy: -1251.176218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.176218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.176218 (E_RNA)
where:
Base-Base interactions energy: -862.408
where: short stacking energy: -374.035
Base-Backbone interact. energy: 0.017
local terms energy: -388.784807
where:
bonds (distance) C4'-P energy: -89.610
bonds (distance) P-C4' energy: -69.457
flat angles C4'-P-C4' energy: -93.857
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -78.554
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: 360
Temperature: 1.300000
Total energy: -998.563256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.563256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.563256 (E_RNA)
where:
Base-Base interactions energy: -628.278
where: short stacking energy: -294.751
Base-Backbone interact. energy: 4.349
local terms energy: -374.634117
where:
bonds (distance) C4'-P energy: -95.866
bonds (distance) P-C4' energy: -81.051
flat angles C4'-P-C4' energy: -88.252
flat angles P-C4'-P energy: -48.278
tors. eta vs tors. theta energy: -61.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -873.929305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.929305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.929305 (E_RNA)
where:
Base-Base interactions energy: -555.608
where: short stacking energy: -251.636
Base-Backbone interact. energy: -3.190
local terms energy: -315.131447
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -77.175
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -33.837
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: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1917.022542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.022542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.022542 (E_RNA)
where:
Base-Base interactions energy: -1365.170
where: short stacking energy: -570.324
Base-Backbone interact. energy: -1.483
local terms energy: -550.369519
where:
bonds (distance) C4'-P energy: -105.105
bonds (distance) P-C4' energy: -103.130
flat angles C4'-P-C4' energy: -126.558
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -146.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1829.578901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.578901 (E_RNA)
where:
Base-Base interactions energy: -1270.862
where: short stacking energy: -543.376
Base-Backbone interact. energy: -3.069
local terms energy: -555.647202
where:
bonds (distance) C4'-P energy: -100.783
bonds (distance) P-C4' energy: -116.094
flat angles C4'-P-C4' energy: -121.018
flat angles P-C4'-P energy: -72.855
tors. eta vs tors. theta energy: -144.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1748.989956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.989956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.989956 (E_RNA)
where:
Base-Base interactions energy: -1232.944
where: short stacking energy: -527.956
Base-Backbone interact. energy: -3.852
local terms energy: -512.194064
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -89.867
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -74.219
tors. eta vs tors. theta energy: -143.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1724.060355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.060355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.060355 (E_RNA)
where:
Base-Base interactions energy: -1234.684
where: short stacking energy: -531.734
Base-Backbone interact. energy: -0.375
local terms energy: -489.000880
where:
bonds (distance) C4'-P energy: -84.463
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -103.084
flat angles P-C4'-P energy: -69.944
tors. eta vs tors. theta energy: -135.564
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: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1617.811583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.811583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.811583 (E_RNA)
where:
Base-Base interactions energy: -1138.606
where: short stacking energy: -464.055
Base-Backbone interact. energy: 3.284
local terms energy: -482.489306
where:
bonds (distance) C4'-P energy: -106.585
bonds (distance) P-C4' energy: -100.140
flat angles C4'-P-C4' energy: -102.146
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -114.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1532.111409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.111409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.111409 (E_RNA)
where:
Base-Base interactions energy: -1056.761
where: short stacking energy: -433.978
Base-Backbone interact. energy: -0.037
local terms energy: -475.313448
where:
bonds (distance) C4'-P energy: -93.307
bonds (distance) P-C4' energy: -96.446
flat angles C4'-P-C4' energy: -106.735
flat angles P-C4'-P energy: -71.537
tors. eta vs tors. theta energy: -107.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1419.620062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.620062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.620062 (E_RNA)
where:
Base-Base interactions energy: -1000.954
where: short stacking energy: -422.304
Base-Backbone interact. energy: -2.464
local terms energy: -416.202120
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -103.068
flat angles C4'-P-C4' energy: -91.830
flat angles P-C4'-P energy: -52.467
tors. eta vs tors. theta energy: -95.361
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: 361
Temperature: 1.250000
Total energy: -1208.813144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.813144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.813144 (E_RNA)
where:
Base-Base interactions energy: -795.766
where: short stacking energy: -343.856
Base-Backbone interact. energy: 0.944
local terms energy: -413.991000
where:
bonds (distance) C4'-P energy: -86.278
bonds (distance) P-C4' energy: -93.929
flat angles C4'-P-C4' energy: -97.051
flat angles P-C4'-P energy: -58.685
tors. eta vs tors. theta energy: -78.047
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: 361
Temperature: 1.300000
Total energy: -1050.714348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.714348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.714348 (E_RNA)
where:
Base-Base interactions energy: -698.949
where: short stacking energy: -308.386
Base-Backbone interact. energy: 0.525
local terms energy: -352.290181
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -83.418
flat angles C4'-P-C4' energy: -84.615
flat angles P-C4'-P energy: -51.434
tors. eta vs tors. theta energy: -55.893
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: 361
Temperature: 1.350000
Total energy: -899.944571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.944571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.944571 (E_RNA)
where:
Base-Base interactions energy: -531.465
where: short stacking energy: -249.379
Base-Backbone interact. energy: -2.032
local terms energy: -366.447029
where:
bonds (distance) C4'-P energy: -96.215
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -84.167
flat angles P-C4'-P energy: -51.500
tors. eta vs tors. theta energy: -38.799
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: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1967.219502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.219502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.219502 (E_RNA)
where:
Base-Base interactions energy: -1384.815
where: short stacking energy: -564.328
Base-Backbone interact. energy: -1.641
local terms energy: -580.763587
where:
bonds (distance) C4'-P energy: -110.978
bonds (distance) P-C4' energy: -99.968
flat angles C4'-P-C4' energy: -125.289
flat angles P-C4'-P energy: -88.088
tors. eta vs tors. theta energy: -156.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1846.634497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.634497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.634497 (E_RNA)
where:
Base-Base interactions energy: -1306.707
where: short stacking energy: -534.838
Base-Backbone interact. energy: -2.422
local terms energy: -537.505633
where:
bonds (distance) C4'-P energy: -112.227
bonds (distance) P-C4' energy: -89.243
flat angles C4'-P-C4' energy: -109.373
flat angles P-C4'-P energy: -85.461
tors. eta vs tors. theta energy: -141.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1752.380085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.380085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.380085 (E_RNA)
where:
Base-Base interactions energy: -1230.405
where: short stacking energy: -498.061
Base-Backbone interact. energy: 0.491
local terms energy: -522.465621
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -89.435
flat angles C4'-P-C4' energy: -118.157
flat angles P-C4'-P energy: -86.447
tors. eta vs tors. theta energy: -126.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1717.286956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.286956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.286956 (E_RNA)
where:
Base-Base interactions energy: -1193.580
where: short stacking energy: -497.899
Base-Backbone interact. energy: 4.057
local terms energy: -527.764627
where:
bonds (distance) C4'-P energy: -100.851
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -110.115
flat angles P-C4'-P energy: -75.725
tors. eta vs tors. theta energy: -135.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1630.783433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.783433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.783433 (E_RNA)
where:
Base-Base interactions energy: -1123.376
where: short stacking energy: -469.815
Base-Backbone interact. energy: -2.734
local terms energy: -504.673034
where:
bonds (distance) C4'-P energy: -96.391
bonds (distance) P-C4' energy: -94.023
flat angles C4'-P-C4' energy: -113.131
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -130.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1544.070951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.070951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.070951 (E_RNA)
where:
Base-Base interactions energy: -1060.830
where: short stacking energy: -437.498
Base-Backbone interact. energy: -1.700
local terms energy: -481.540662
where:
bonds (distance) C4'-P energy: -94.526
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -107.581
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -100.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1402.163117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.163117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.163117 (E_RNA)
where:
Base-Base interactions energy: -944.394
where: short stacking energy: -402.237
Base-Backbone interact. energy: -3.538
local terms energy: -454.230430
where:
bonds (distance) C4'-P energy: -86.259
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -99.658
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -99.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1245.721860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.721860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.721860 (E_RNA)
where:
Base-Base interactions energy: -831.957
where: short stacking energy: -367.461
Base-Backbone interact. energy: -0.279
local terms energy: -413.485960
where:
bonds (distance) C4'-P energy: -94.418
bonds (distance) P-C4' energy: -89.587
flat angles C4'-P-C4' energy: -96.529
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -87.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1015.421793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.421793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.421793 (E_RNA)
where:
Base-Base interactions energy: -648.737
where: short stacking energy: -268.545
Base-Backbone interact. energy: -2.782
local terms energy: -363.903011
where:
bonds (distance) C4'-P energy: -86.457
bonds (distance) P-C4' energy: -98.615
flat angles C4'-P-C4' energy: -72.911
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: -47.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -868.391400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.391400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.391400 (E_RNA)
where:
Base-Base interactions energy: -546.459
where: short stacking energy: -255.478
Base-Backbone interact. energy: -0.174
local terms energy: -321.758246
where:
bonds (distance) C4'-P energy: -64.817
bonds (distance) P-C4' energy: -83.913
flat angles C4'-P-C4' energy: -93.707
flat angles P-C4'-P energy: -49.185
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1966.103043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.103043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.103043 (E_RNA)
where:
Base-Base interactions energy: -1371.078
where: short stacking energy: -541.078
Base-Backbone interact. energy: -1.353
local terms energy: -593.671653
where:
bonds (distance) C4'-P energy: -106.135
bonds (distance) P-C4' energy: -106.747
flat angles C4'-P-C4' energy: -130.132
flat angles P-C4'-P energy: -90.769
tors. eta vs tors. theta energy: -159.889
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: 363
Temperature: 0.950000
Total energy: -1826.469153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.469153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.469153 (E_RNA)
where:
Base-Base interactions energy: -1264.480
where: short stacking energy: -524.641
Base-Backbone interact. energy: -3.253
local terms energy: -558.736601
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -96.855
flat angles C4'-P-C4' energy: -124.991
flat angles P-C4'-P energy: -87.765
tors. eta vs tors. theta energy: -145.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1776.832862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.832862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.832862 (E_RNA)
where:
Base-Base interactions energy: -1253.836
where: short stacking energy: -493.716
Base-Backbone interact. energy: -2.761
local terms energy: -520.235664
where:
bonds (distance) C4'-P energy: -85.489
bonds (distance) P-C4' energy: -105.096
flat angles C4'-P-C4' energy: -112.833
flat angles P-C4'-P energy: -85.102
tors. eta vs tors. theta energy: -131.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1721.979425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.979425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.979425 (E_RNA)
where:
Base-Base interactions energy: -1191.078
where: short stacking energy: -508.551
Base-Backbone interact. energy: -1.496
local terms energy: -529.405104
where:
bonds (distance) C4'-P energy: -108.585
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -110.475
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: -133.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1601.629593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.629593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.629593 (E_RNA)
where:
Base-Base interactions energy: -1121.307
where: short stacking energy: -457.040
Base-Backbone interact. energy: -2.244
local terms energy: -478.078773
where:
bonds (distance) C4'-P energy: -95.269
bonds (distance) P-C4' energy: -92.089
flat angles C4'-P-C4' energy: -100.220
flat angles P-C4'-P energy: -65.520
tors. eta vs tors. theta energy: -124.980
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1530.411669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.411669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.411669 (E_RNA)
where:
Base-Base interactions energy: -1081.460
where: short stacking energy: -446.747
Base-Backbone interact. energy: -3.917
local terms energy: -445.035395
where:
bonds (distance) C4'-P energy: -70.689
bonds (distance) P-C4' energy: -99.849
flat angles C4'-P-C4' energy: -107.646
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -111.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1417.618643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.618643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.618643 (E_RNA)
where:
Base-Base interactions energy: -987.150
where: short stacking energy: -407.487
Base-Backbone interact. energy: -3.218
local terms energy: -427.250841
where:
bonds (distance) C4'-P energy: -85.796
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -98.337
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -94.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1161.286024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.286024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.286024 (E_RNA)
where:
Base-Base interactions energy: -770.854
where: short stacking energy: -337.291
Base-Backbone interact. energy: 1.528
local terms energy: -391.959500
where:
bonds (distance) C4'-P energy: -70.878
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -85.169
flat angles P-C4'-P energy: -63.410
tors. eta vs tors. theta energy: -76.970
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: 363
Temperature: 1.300000
Total energy: -1055.272280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.272280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.272280 (E_RNA)
where:
Base-Base interactions energy: -673.926
where: short stacking energy: -287.910
Base-Backbone interact. energy: -0.696
local terms energy: -380.650246
where:
bonds (distance) C4'-P energy: -79.836
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -107.320
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -52.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -926.140385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.140385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.140385 (E_RNA)
where:
Base-Base interactions energy: -605.850
where: short stacking energy: -272.030
Base-Backbone interact. energy: 6.302
local terms energy: -326.593145
where:
bonds (distance) C4'-P energy: -76.303
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -86.734
flat angles P-C4'-P energy: -57.782
tors. eta vs tors. theta energy: -29.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1977.299378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.299378 (E_RNA)
where:
Base-Base interactions energy: -1393.866
where: short stacking energy: -565.566
Base-Backbone interact. energy: -3.847
local terms energy: -579.586402
where:
bonds (distance) C4'-P energy: -111.486
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -118.756
flat angles P-C4'-P energy: -87.150
tors. eta vs tors. theta energy: -155.987
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: 364
Temperature: 0.950000
Total energy: -1858.237374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.237374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.237374 (E_RNA)
where:
Base-Base interactions energy: -1294.227
where: short stacking energy: -526.280
Base-Backbone interact. energy: -3.163
local terms energy: -560.847119
where:
bonds (distance) C4'-P energy: -102.674
bonds (distance) P-C4' energy: -103.320
flat angles C4'-P-C4' energy: -131.064
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -147.418
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1756.585824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.585824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.585824 (E_RNA)
where:
Base-Base interactions energy: -1227.424
where: short stacking energy: -531.253
Base-Backbone interact. energy: -1.598
local terms energy: -527.563711
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -104.660
flat angles C4'-P-C4' energy: -115.891
flat angles P-C4'-P energy: -77.987
tors. eta vs tors. theta energy: -136.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1727.123496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.123496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.123496 (E_RNA)
where:
Base-Base interactions energy: -1220.683
where: short stacking energy: -502.388
Base-Backbone interact. energy: 3.873
local terms energy: -510.313303
where:
bonds (distance) C4'-P energy: -102.401
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -127.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1622.745627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.745627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.745627 (E_RNA)
where:
Base-Base interactions energy: -1152.766
where: short stacking energy: -488.012
Base-Backbone interact. energy: 4.910
local terms energy: -474.890186
where:
bonds (distance) C4'-P energy: -82.993
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -100.661
flat angles P-C4'-P energy: -70.040
tors. eta vs tors. theta energy: -129.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1538.592826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.592826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.592826 (E_RNA)
where:
Base-Base interactions energy: -1075.769
where: short stacking energy: -452.677
Base-Backbone interact. energy: 0.572
local terms energy: -463.395270
where:
bonds (distance) C4'-P energy: -92.637
bonds (distance) P-C4' energy: -95.732
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -59.351
tors. eta vs tors. theta energy: -115.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1417.094266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.094266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.094266 (E_RNA)
where:
Base-Base interactions energy: -995.436
where: short stacking energy: -426.066
Base-Backbone interact. energy: -0.985
local terms energy: -420.672628
where:
bonds (distance) C4'-P energy: -68.709
bonds (distance) P-C4' energy: -90.076
flat angles C4'-P-C4' energy: -95.883
flat angles P-C4'-P energy: -54.682
tors. eta vs tors. theta energy: -111.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1142.242665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.242665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.242665 (E_RNA)
where:
Base-Base interactions energy: -732.460
where: short stacking energy: -332.023
Base-Backbone interact. energy: -0.235
local terms energy: -409.547724
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -79.324
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -66.919
tors. eta vs tors. theta energy: -64.304
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: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1026.481695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.481695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.481695 (E_RNA)
where:
Base-Base interactions energy: -651.056
where: short stacking energy: -299.493
Base-Backbone interact. energy: 2.207
local terms energy: -377.633577
where:
bonds (distance) C4'-P energy: -87.018
bonds (distance) P-C4' energy: -82.430
flat angles C4'-P-C4' energy: -87.528
flat angles P-C4'-P energy: -64.947
tors. eta vs tors. theta energy: -55.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -913.023210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.023210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.023210 (E_RNA)
where:
Base-Base interactions energy: -552.706
where: short stacking energy: -248.489
Base-Backbone interact. energy: -1.658
local terms energy: -358.659340
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -87.036
flat angles C4'-P-C4' energy: -89.045
flat angles P-C4'-P energy: -57.245
tors. eta vs tors. theta energy: -39.110
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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1943.617160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.617160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.617160 (E_RNA)
where:
Base-Base interactions energy: -1392.305
where: short stacking energy: -552.705
Base-Backbone interact. energy: -2.284
local terms energy: -549.027835
where:
bonds (distance) C4'-P energy: -103.149
bonds (distance) P-C4' energy: -114.876
flat angles C4'-P-C4' energy: -114.899
flat angles P-C4'-P energy: -74.103
tors. eta vs tors. theta energy: -142.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1858.634947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.634947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.634947 (E_RNA)
where:
Base-Base interactions energy: -1283.078
where: short stacking energy: -548.832
Base-Backbone interact. energy: -2.900
local terms energy: -572.657873
where:
bonds (distance) C4'-P energy: -101.622
bonds (distance) P-C4' energy: -107.072
flat angles C4'-P-C4' energy: -125.555
flat angles P-C4'-P energy: -94.305
tors. eta vs tors. theta energy: -144.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1761.828113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.828113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.828113 (E_RNA)
where:
Base-Base interactions energy: -1211.628
where: short stacking energy: -504.341
Base-Backbone interact. energy: -2.269
local terms energy: -547.930932
where:
bonds (distance) C4'-P energy: -109.670
bonds (distance) P-C4' energy: -90.534
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -86.899
tors. eta vs tors. theta energy: -138.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1727.021192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.021192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.021192 (E_RNA)
where:
Base-Base interactions energy: -1184.369
where: short stacking energy: -507.265
Base-Backbone interact. energy: -3.896
local terms energy: -538.756511
where:
bonds (distance) C4'-P energy: -100.528
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -115.265
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -130.011
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: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1665.777293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.777293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.777293 (E_RNA)
where:
Base-Base interactions energy: -1189.217
where: short stacking energy: -471.037
Base-Backbone interact. energy: 4.391
local terms energy: -480.951044
where:
bonds (distance) C4'-P energy: -91.634
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -106.722
flat angles P-C4'-P energy: -72.014
tors. eta vs tors. theta energy: -120.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1537.815818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.815818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.815818 (E_RNA)
where:
Base-Base interactions energy: -1052.533
where: short stacking energy: -440.871
Base-Backbone interact. energy: 1.152
local terms energy: -486.434808
where:
bonds (distance) C4'-P energy: -93.537
bonds (distance) P-C4' energy: -91.426
flat angles C4'-P-C4' energy: -109.063
flat angles P-C4'-P energy: -75.885
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: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1395.210339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.210339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.210339 (E_RNA)
where:
Base-Base interactions energy: -981.193
where: short stacking energy: -399.231
Base-Backbone interact. energy: -1.588
local terms energy: -412.429385
where:
bonds (distance) C4'-P energy: -81.224
bonds (distance) P-C4' energy: -93.165
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -56.663
tors. eta vs tors. theta energy: -91.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1200.927592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.927592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.927592 (E_RNA)
where:
Base-Base interactions energy: -764.214
where: short stacking energy: -365.231
Base-Backbone interact. energy: 0.052
local terms energy: -436.765460
where:
bonds (distance) C4'-P energy: -91.582
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -90.329
flat angles P-C4'-P energy: -60.217
tors. eta vs tors. theta energy: -87.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1042.852268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.852268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.852268 (E_RNA)
where:
Base-Base interactions energy: -662.692
where: short stacking energy: -300.117
Base-Backbone interact. energy: -3.354
local terms energy: -376.805870
where:
bonds (distance) C4'-P energy: -81.099
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -98.363
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -48.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -908.178444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.178444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.178444 (E_RNA)
where:
Base-Base interactions energy: -547.876
where: short stacking energy: -256.841
Base-Backbone interact. energy: -2.912
local terms energy: -357.390985
where:
bonds (distance) C4'-P energy: -91.029
bonds (distance) P-C4' energy: -90.951
flat angles C4'-P-C4' energy: -77.890
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -42.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1960.380526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.380526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.380526 (E_RNA)
where:
Base-Base interactions energy: -1371.343
where: short stacking energy: -557.718
Base-Backbone interact. energy: -3.453
local terms energy: -585.584780
where:
bonds (distance) C4'-P energy: -108.597
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -119.438
flat angles P-C4'-P energy: -93.108
tors. eta vs tors. theta energy: -156.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1840.143386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.143386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.143386 (E_RNA)
where:
Base-Base interactions energy: -1299.343
where: short stacking energy: -542.368
Base-Backbone interact. energy: -0.835
local terms energy: -539.965404
where:
bonds (distance) C4'-P energy: -92.664
bonds (distance) P-C4' energy: -110.261
flat angles C4'-P-C4' energy: -112.160
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -149.449
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1757.262296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.262296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.262296 (E_RNA)
where:
Base-Base interactions energy: -1223.320
where: short stacking energy: -519.105
Base-Backbone interact. energy: -2.178
local terms energy: -531.763850
where:
bonds (distance) C4'-P energy: -102.528
bonds (distance) P-C4' energy: -104.424
flat angles C4'-P-C4' energy: -113.237
flat angles P-C4'-P energy: -74.203
tors. eta vs tors. theta energy: -137.372
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: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1690.092796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.092796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.092796 (E_RNA)
where:
Base-Base interactions energy: -1174.300
where: short stacking energy: -478.764
Base-Backbone interact. energy: 0.510
local terms energy: -516.302593
where:
bonds (distance) C4'-P energy: -90.532
bonds (distance) P-C4' energy: -101.884
flat angles C4'-P-C4' energy: -115.480
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -131.629
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: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1631.584836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.584836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.584836 (E_RNA)
where:
Base-Base interactions energy: -1151.012
where: short stacking energy: -465.078
Base-Backbone interact. energy: 0.607
local terms energy: -481.180142
where:
bonds (distance) C4'-P energy: -75.373
bonds (distance) P-C4' energy: -104.844
flat angles C4'-P-C4' energy: -105.793
flat angles P-C4'-P energy: -86.236
tors. eta vs tors. theta energy: -108.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1527.502885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.502885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.502885 (E_RNA)
where:
Base-Base interactions energy: -1058.666
where: short stacking energy: -423.711
Base-Backbone interact. energy: -2.807
local terms energy: -466.029842
where:
bonds (distance) C4'-P energy: -84.796
bonds (distance) P-C4' energy: -105.354
flat angles C4'-P-C4' energy: -108.813
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: -110.204
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1378.979936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.979936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.979936 (E_RNA)
where:
Base-Base interactions energy: -970.070
where: short stacking energy: -397.863
Base-Backbone interact. energy: 1.482
local terms energy: -410.392523
where:
bonds (distance) C4'-P energy: -82.328
bonds (distance) P-C4' energy: -90.585
flat angles C4'-P-C4' energy: -94.129
flat angles P-C4'-P energy: -51.096
tors. eta vs tors. theta energy: -92.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1227.996925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.996925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.996925 (E_RNA)
where:
Base-Base interactions energy: -823.562
where: short stacking energy: -377.195
Base-Backbone interact. energy: -2.262
local terms energy: -402.173383
where:
bonds (distance) C4'-P energy: -79.414
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -105.484
flat angles P-C4'-P energy: -58.859
tors. eta vs tors. theta energy: -82.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1018.727348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.727348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.727348 (E_RNA)
where:
Base-Base interactions energy: -641.891
where: short stacking energy: -286.859
Base-Backbone interact. energy: -4.074
local terms energy: -372.761873
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -92.685
flat angles C4'-P-C4' energy: -103.106
flat angles P-C4'-P energy: -56.520
tors. eta vs tors. theta energy: -34.227
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: 366
Temperature: 1.350000
Total energy: -853.681306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.681306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.681306 (E_RNA)
where:
Base-Base interactions energy: -525.784
where: short stacking energy: -259.857
Base-Backbone interact. energy: 4.549
local terms energy: -332.446035
where:
bonds (distance) C4'-P energy: -83.176
bonds (distance) P-C4' energy: -81.524
flat angles C4'-P-C4' energy: -77.766
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -31.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1962.554794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.554794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.554794 (E_RNA)
where:
Base-Base interactions energy: -1397.304
where: short stacking energy: -589.176
Base-Backbone interact. energy: -1.848
local terms energy: -563.402944
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -98.777
flat angles C4'-P-C4' energy: -120.359
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -153.836
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: 367
Temperature: 0.950000
Total energy: -1854.762396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.762396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.762396 (E_RNA)
where:
Base-Base interactions energy: -1283.047
where: short stacking energy: -532.529
Base-Backbone interact. energy: -3.961
local terms energy: -567.753918
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -105.109
flat angles C4'-P-C4' energy: -127.301
flat angles P-C4'-P energy: -86.389
tors. eta vs tors. theta energy: -146.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1785.274393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.274393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.274393 (E_RNA)
where:
Base-Base interactions energy: -1251.536
where: short stacking energy: -547.729
Base-Backbone interact. energy: -3.500
local terms energy: -530.238119
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -96.477
flat angles C4'-P-C4' energy: -116.222
flat angles P-C4'-P energy: -81.894
tors. eta vs tors. theta energy: -151.217
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: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1693.761247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.761247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.761247 (E_RNA)
where:
Base-Base interactions energy: -1205.784
where: short stacking energy: -515.714
Base-Backbone interact. energy: 7.344
local terms energy: -495.320995
where:
bonds (distance) C4'-P energy: -83.885
bonds (distance) P-C4' energy: -88.862
flat angles C4'-P-C4' energy: -111.843
flat angles P-C4'-P energy: -78.412
tors. eta vs tors. theta energy: -132.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1594.651607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.651607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.651607 (E_RNA)
where:
Base-Base interactions energy: -1136.873
where: short stacking energy: -449.747
Base-Backbone interact. energy: -0.110
local terms energy: -457.667989
where:
bonds (distance) C4'-P energy: -87.234
bonds (distance) P-C4' energy: -100.933
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -104.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1536.874053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.874053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.874053 (E_RNA)
where:
Base-Base interactions energy: -1048.833
where: short stacking energy: -448.482
Base-Backbone interact. energy: -1.361
local terms energy: -486.679694
where:
bonds (distance) C4'-P energy: -89.379
bonds (distance) P-C4' energy: -96.156
flat angles C4'-P-C4' energy: -117.226
flat angles P-C4'-P energy: -63.593
tors. eta vs tors. theta energy: -120.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1366.951064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.951064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.951064 (E_RNA)
where:
Base-Base interactions energy: -937.793
where: short stacking energy: -384.159
Base-Backbone interact. energy: -1.770
local terms energy: -427.388389
where:
bonds (distance) C4'-P energy: -90.015
bonds (distance) P-C4' energy: -82.420
flat angles C4'-P-C4' energy: -100.719
flat angles P-C4'-P energy: -55.942
tors. eta vs tors. theta energy: -98.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1192.901136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.901136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.901136 (E_RNA)
where:
Base-Base interactions energy: -779.278
where: short stacking energy: -334.210
Base-Backbone interact. energy: -1.613
local terms energy: -412.010109
where:
bonds (distance) C4'-P energy: -85.104
bonds (distance) P-C4' energy: -87.591
flat angles C4'-P-C4' energy: -98.521
flat angles P-C4'-P energy: -63.377
tors. eta vs tors. theta energy: -77.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1066.257467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.257467 (E_RNA)
where:
Base-Base interactions energy: -679.188
where: short stacking energy: -303.334
Base-Backbone interact. energy: -1.739
local terms energy: -385.330263
where:
bonds (distance) C4'-P energy: -85.632
bonds (distance) P-C4' energy: -75.038
flat angles C4'-P-C4' energy: -95.472
flat angles P-C4'-P energy: -71.522
tors. eta vs tors. theta energy: -57.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -846.433900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.433900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.433900 (E_RNA)
where:
Base-Base interactions energy: -537.955
where: short stacking energy: -260.484
Base-Backbone interact. energy: 3.336
local terms energy: -311.815496
where:
bonds (distance) C4'-P energy: -87.805
bonds (distance) P-C4' energy: -78.345
flat angles C4'-P-C4' energy: -76.230
flat angles P-C4'-P energy: -57.005
tors. eta vs tors. theta energy: -12.431
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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1944.933312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.933312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.933312 (E_RNA)
where:
Base-Base interactions energy: -1382.585
where: short stacking energy: -568.181
Base-Backbone interact. energy: 2.242
local terms energy: -564.590305
where:
bonds (distance) C4'-P energy: -108.221
bonds (distance) P-C4' energy: -105.955
flat angles C4'-P-C4' energy: -114.990
flat angles P-C4'-P energy: -76.381
tors. eta vs tors. theta energy: -159.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1812.573975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.573975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.573975 (E_RNA)
where:
Base-Base interactions energy: -1260.010
where: short stacking energy: -541.833
Base-Backbone interact. energy: -1.832
local terms energy: -550.732207
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -108.975
flat angles C4'-P-C4' energy: -115.534
flat angles P-C4'-P energy: -71.832
tors. eta vs tors. theta energy: -137.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1755.607590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.607590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.607590 (E_RNA)
where:
Base-Base interactions energy: -1209.429
where: short stacking energy: -514.256
Base-Backbone interact. energy: -1.707
local terms energy: -544.471455
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -104.814
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -82.188
tors. eta vs tors. theta energy: -137.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1700.487512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.487512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.487512 (E_RNA)
where:
Base-Base interactions energy: -1189.615
where: short stacking energy: -485.826
Base-Backbone interact. energy: -2.569
local terms energy: -508.303902
where:
bonds (distance) C4'-P energy: -93.231
bonds (distance) P-C4' energy: -104.578
flat angles C4'-P-C4' energy: -102.994
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -131.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1622.034731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.034731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.034731 (E_RNA)
where:
Base-Base interactions energy: -1130.831
where: short stacking energy: -468.736
Base-Backbone interact. energy: -0.628
local terms energy: -490.575971
where:
bonds (distance) C4'-P energy: -88.968
bonds (distance) P-C4' energy: -91.994
flat angles C4'-P-C4' energy: -116.407
flat angles P-C4'-P energy: -78.099
tors. eta vs tors. theta energy: -115.108
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: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1566.666208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.666208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.666208 (E_RNA)
where:
Base-Base interactions energy: -1082.398
where: short stacking energy: -459.039
Base-Backbone interact. energy: -2.368
local terms energy: -481.899860
where:
bonds (distance) C4'-P energy: -102.492
bonds (distance) P-C4' energy: -98.776
flat angles C4'-P-C4' energy: -96.380
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -113.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1424.677556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.677556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.677556 (E_RNA)
where:
Base-Base interactions energy: -970.589
where: short stacking energy: -399.287
Base-Backbone interact. energy: -1.528
local terms energy: -452.559991
where:
bonds (distance) C4'-P energy: -94.295
bonds (distance) P-C4' energy: -101.522
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -95.966
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1236.601448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.601448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.601448 (E_RNA)
where:
Base-Base interactions energy: -814.961
where: short stacking energy: -360.186
Base-Backbone interact. energy: -0.146
local terms energy: -421.494990
where:
bonds (distance) C4'-P energy: -91.121
bonds (distance) P-C4' energy: -95.968
flat angles C4'-P-C4' energy: -94.239
flat angles P-C4'-P energy: -70.861
tors. eta vs tors. theta energy: -69.305
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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1060.410407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.410407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.410407 (E_RNA)
where:
Base-Base interactions energy: -698.939
where: short stacking energy: -318.943
Base-Backbone interact. energy: -2.624
local terms energy: -358.847891
where:
bonds (distance) C4'-P energy: -73.065
bonds (distance) P-C4' energy: -90.497
flat angles C4'-P-C4' energy: -92.078
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -61.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -798.548479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.548479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.548479 (E_RNA)
where:
Base-Base interactions energy: -474.318
where: short stacking energy: -245.180
Base-Backbone interact. energy: -1.000
local terms energy: -323.230257
where:
bonds (distance) C4'-P energy: -86.828
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -88.250
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -41.819
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: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1947.819617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.819617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.819617 (E_RNA)
where:
Base-Base interactions energy: -1376.505
where: short stacking energy: -580.705
Base-Backbone interact. energy: 0.671
local terms energy: -571.985682
where:
bonds (distance) C4'-P energy: -95.245
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -126.062
flat angles P-C4'-P energy: -81.426
tors. eta vs tors. theta energy: -153.387
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: 369
Temperature: 0.950000
Total energy: -1823.054507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.054507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.054507 (E_RNA)
where:
Base-Base interactions energy: -1270.123
where: short stacking energy: -530.305
Base-Backbone interact. energy: 0.052
local terms energy: -552.984102
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -120.570
flat angles P-C4'-P energy: -90.047
tors. eta vs tors. theta energy: -136.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1796.213386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.213386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.213386 (E_RNA)
where:
Base-Base interactions energy: -1258.883
where: short stacking energy: -533.178
Base-Backbone interact. energy: -1.614
local terms energy: -535.715852
where:
bonds (distance) C4'-P energy: -96.198
bonds (distance) P-C4' energy: -114.340
flat angles C4'-P-C4' energy: -107.950
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -140.171
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: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1714.152842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.152842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.152842 (E_RNA)
where:
Base-Base interactions energy: -1207.572
where: short stacking energy: -515.278
Base-Backbone interact. energy: -0.455
local terms energy: -506.125115
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -87.399
flat angles C4'-P-C4' energy: -118.321
flat angles P-C4'-P energy: -68.066
tors. eta vs tors. theta energy: -135.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1618.429079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.429079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.429079 (E_RNA)
where:
Base-Base interactions energy: -1150.736
where: short stacking energy: -469.155
Base-Backbone interact. energy: -0.405
local terms energy: -467.288136
where:
bonds (distance) C4'-P energy: -89.124
bonds (distance) P-C4' energy: -86.626
flat angles C4'-P-C4' energy: -114.099
flat angles P-C4'-P energy: -60.476
tors. eta vs tors. theta energy: -116.962
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: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1578.679003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.679003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.679003 (E_RNA)
where:
Base-Base interactions energy: -1104.256
where: short stacking energy: -494.683
Base-Backbone interact. energy: -0.208
local terms energy: -474.215173
where:
bonds (distance) C4'-P energy: -89.229
bonds (distance) P-C4' energy: -82.956
flat angles C4'-P-C4' energy: -108.955
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -120.273
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1414.796056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.796056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.796056 (E_RNA)
where:
Base-Base interactions energy: -980.043
where: short stacking energy: -401.297
Base-Backbone interact. energy: -3.394
local terms energy: -431.358536
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -90.693
flat angles C4'-P-C4' energy: -101.323
flat angles P-C4'-P energy: -69.841
tors. eta vs tors. theta energy: -95.511
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: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1221.682978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.682978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.682978 (E_RNA)
where:
Base-Base interactions energy: -808.959
where: short stacking energy: -346.049
Base-Backbone interact. energy: -2.654
local terms energy: -410.070202
where:
bonds (distance) C4'-P energy: -71.338
bonds (distance) P-C4' energy: -107.327
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -73.335
tors. eta vs tors. theta energy: -72.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1094.900082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.900082 (E_RNA)
where:
Base-Base interactions energy: -707.757
where: short stacking energy: -316.588
Base-Backbone interact. energy: -2.594
local terms energy: -384.548345
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -85.894
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -63.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -767.642876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.642876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.642876 (E_RNA)
where:
Base-Base interactions energy: -432.735
where: short stacking energy: -208.794
Base-Backbone interact. energy: 0.335
local terms energy: -335.243244
where:
bonds (distance) C4'-P energy: -75.051
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -82.979
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -21.546
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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1948.948552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.948552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.948552 (E_RNA)
where:
Base-Base interactions energy: -1379.553
where: short stacking energy: -552.615
Base-Backbone interact. energy: -3.193
local terms energy: -566.203162
where:
bonds (distance) C4'-P energy: -94.995
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -124.439
flat angles P-C4'-P energy: -84.565
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1829.269090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.269090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.269090 (E_RNA)
where:
Base-Base interactions energy: -1259.086
where: short stacking energy: -554.745
Base-Backbone interact. energy: -0.199
local terms energy: -569.983331
where:
bonds (distance) C4'-P energy: -112.947
bonds (distance) P-C4' energy: -103.003
flat angles C4'-P-C4' energy: -124.360
flat angles P-C4'-P energy: -76.248
tors. eta vs tors. theta energy: -153.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1764.338808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.338808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.338808 (E_RNA)
where:
Base-Base interactions energy: -1232.185
where: short stacking energy: -508.051
Base-Backbone interact. energy: -0.772
local terms energy: -531.382039
where:
bonds (distance) C4'-P energy: -96.533
bonds (distance) P-C4' energy: -107.189
flat angles C4'-P-C4' energy: -117.809
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -132.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1731.057189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.057189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.057189 (E_RNA)
where:
Base-Base interactions energy: -1209.625
where: short stacking energy: -494.590
Base-Backbone interact. energy: -2.922
local terms energy: -518.509527
where:
bonds (distance) C4'-P energy: -97.638
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -118.938
flat angles P-C4'-P energy: -71.931
tors. eta vs tors. theta energy: -133.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1648.390140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.390140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.390140 (E_RNA)
where:
Base-Base interactions energy: -1152.476
where: short stacking energy: -467.886
Base-Backbone interact. energy: -0.259
local terms energy: -495.654803
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -91.646
flat angles C4'-P-C4' energy: -115.910
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -123.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1591.043275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.043275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.043275 (E_RNA)
where:
Base-Base interactions energy: -1132.159
where: short stacking energy: -452.429
Base-Backbone interact. energy: -0.826
local terms energy: -458.058265
where:
bonds (distance) C4'-P energy: -78.614
bonds (distance) P-C4' energy: -96.867
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -105.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1394.915851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.915851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.915851 (E_RNA)
where:
Base-Base interactions energy: -956.948
where: short stacking energy: -402.494
Base-Backbone interact. energy: -2.690
local terms energy: -435.278254
where:
bonds (distance) C4'-P energy: -95.288
bonds (distance) P-C4' energy: -96.416
flat angles C4'-P-C4' energy: -83.712
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -89.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1204.338913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.338913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.338913 (E_RNA)
where:
Base-Base interactions energy: -801.883
where: short stacking energy: -352.827
Base-Backbone interact. energy: -1.567
local terms energy: -400.888636
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -101.395
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -51.860
tors. eta vs tors. theta energy: -71.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1053.927592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.927592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.927592 (E_RNA)
where:
Base-Base interactions energy: -698.147
where: short stacking energy: -296.292
Base-Backbone interact. energy: 1.249
local terms energy: -357.028942
where:
bonds (distance) C4'-P energy: -83.518
bonds (distance) P-C4' energy: -83.337
flat angles C4'-P-C4' energy: -82.078
flat angles P-C4'-P energy: -55.631
tors. eta vs tors. theta energy: -52.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -803.936866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.936866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.936866 (E_RNA)
where:
Base-Base interactions energy: -469.732
where: short stacking energy: -216.785
Base-Backbone interact. energy: 0.359
local terms energy: -334.563683
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -96.245
flat angles C4'-P-C4' energy: -96.750
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -18.056
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1958.230110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.230110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.230110 (E_RNA)
where:
Base-Base interactions energy: -1375.322
where: short stacking energy: -577.671
Base-Backbone interact. energy: -5.587
local terms energy: -577.321244
where:
bonds (distance) C4'-P energy: -99.631
bonds (distance) P-C4' energy: -109.107
flat angles C4'-P-C4' energy: -120.910
flat angles P-C4'-P energy: -88.258
tors. eta vs tors. theta energy: -159.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1816.936801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.936801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.936801 (E_RNA)
where:
Base-Base interactions energy: -1274.268
where: short stacking energy: -528.431
Base-Backbone interact. energy: -0.853
local terms energy: -541.815540
where:
bonds (distance) C4'-P energy: -104.995
bonds (distance) P-C4' energy: -98.216
flat angles C4'-P-C4' energy: -117.719
flat angles P-C4'-P energy: -75.240
tors. eta vs tors. theta energy: -145.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1759.153436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.153436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.153436 (E_RNA)
where:
Base-Base interactions energy: -1247.967
where: short stacking energy: -533.502
Base-Backbone interact. energy: -3.099
local terms energy: -508.086800
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -114.142
flat angles P-C4'-P energy: -75.096
tors. eta vs tors. theta energy: -132.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1721.751937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.751937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.751937 (E_RNA)
where:
Base-Base interactions energy: -1226.689
where: short stacking energy: -516.375
Base-Backbone interact. energy: 3.112
local terms energy: -498.174843
where:
bonds (distance) C4'-P energy: -83.552
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -107.222
flat angles P-C4'-P energy: -75.342
tors. eta vs tors. theta energy: -136.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1612.221356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.221356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.221356 (E_RNA)
where:
Base-Base interactions energy: -1129.640
where: short stacking energy: -465.917
Base-Backbone interact. energy: -2.850
local terms energy: -479.731268
where:
bonds (distance) C4'-P energy: -95.544
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -110.765
flat angles P-C4'-P energy: -72.915
tors. eta vs tors. theta energy: -110.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1620.387958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.387958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.387958 (E_RNA)
where:
Base-Base interactions energy: -1145.527
where: short stacking energy: -470.229
Base-Backbone interact. energy: -2.685
local terms energy: -472.176696
where:
bonds (distance) C4'-P energy: -104.100
bonds (distance) P-C4' energy: -91.330
flat angles C4'-P-C4' energy: -105.553
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -119.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1411.258877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.258877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.258877 (E_RNA)
where:
Base-Base interactions energy: -958.780
where: short stacking energy: -400.885
Base-Backbone interact. energy: 0.864
local terms energy: -453.342534
where:
bonds (distance) C4'-P energy: -89.116
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -99.841
flat angles P-C4'-P energy: -61.603
tors. eta vs tors. theta energy: -107.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1174.752702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.752702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.752702 (E_RNA)
where:
Base-Base interactions energy: -762.777
where: short stacking energy: -328.401
Base-Backbone interact. energy: -3.011
local terms energy: -408.965204
where:
bonds (distance) C4'-P energy: -96.730
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -100.745
flat angles P-C4'-P energy: -66.546
tors. eta vs tors. theta energy: -58.616
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: 371
Temperature: 1.300000
Total energy: -981.811407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.811407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.811407 (E_RNA)
where:
Base-Base interactions energy: -633.188
where: short stacking energy: -286.967
Base-Backbone interact. energy: 2.112
local terms energy: -350.735480
where:
bonds (distance) C4'-P energy: -88.214
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -82.526
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -57.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -827.586699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.586699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.586699 (E_RNA)
where:
Base-Base interactions energy: -493.635
where: short stacking energy: -245.839
Base-Backbone interact. energy: -0.167
local terms energy: -333.785022
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -78.003
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -60.755
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1965.277067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.277067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.277067 (E_RNA)
where:
Base-Base interactions energy: -1408.126
where: short stacking energy: -568.948
Base-Backbone interact. energy: -1.941
local terms energy: -555.209582
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -119.648
flat angles P-C4'-P energy: -81.292
tors. eta vs tors. theta energy: -149.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1847.621774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.621774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.621774 (E_RNA)
where:
Base-Base interactions energy: -1289.255
where: short stacking energy: -546.467
Base-Backbone interact. energy: -1.260
local terms energy: -557.106780
where:
bonds (distance) C4'-P energy: -111.259
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -121.123
flat angles P-C4'-P energy: -68.008
tors. eta vs tors. theta energy: -155.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1752.524603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.524603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.524603 (E_RNA)
where:
Base-Base interactions energy: -1216.187
where: short stacking energy: -505.041
Base-Backbone interact. energy: -1.881
local terms energy: -534.456611
where:
bonds (distance) C4'-P energy: -101.127
bonds (distance) P-C4' energy: -110.644
flat angles C4'-P-C4' energy: -108.986
flat angles P-C4'-P energy: -79.483
tors. eta vs tors. theta energy: -134.217
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1721.603243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.603243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.603243 (E_RNA)
where:
Base-Base interactions energy: -1212.158
where: short stacking energy: -491.587
Base-Backbone interact. energy: -5.084
local terms energy: -504.361330
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -92.069
flat angles C4'-P-C4' energy: -116.766
flat angles P-C4'-P energy: -69.922
tors. eta vs tors. theta energy: -127.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1604.425952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.425952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.425952 (E_RNA)
where:
Base-Base interactions energy: -1091.699
where: short stacking energy: -446.506
Base-Backbone interact. energy: -3.697
local terms energy: -509.029981
where:
bonds (distance) C4'-P energy: -87.791
bonds (distance) P-C4' energy: -103.610
flat angles C4'-P-C4' energy: -116.875
flat angles P-C4'-P energy: -69.928
tors. eta vs tors. theta energy: -130.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1569.086725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.086725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.086725 (E_RNA)
where:
Base-Base interactions energy: -1108.700
where: short stacking energy: -454.204
Base-Backbone interact. energy: -4.483
local terms energy: -455.903203
where:
bonds (distance) C4'-P energy: -89.788
bonds (distance) P-C4' energy: -81.040
flat angles C4'-P-C4' energy: -103.465
flat angles P-C4'-P energy: -60.979
tors. eta vs tors. theta energy: -120.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1393.520052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.520052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.520052 (E_RNA)
where:
Base-Base interactions energy: -959.815
where: short stacking energy: -389.601
Base-Backbone interact. energy: 1.044
local terms energy: -434.748791
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -87.551
flat angles C4'-P-C4' energy: -93.086
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -92.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1226.490286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.490286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.490286 (E_RNA)
where:
Base-Base interactions energy: -828.341
where: short stacking energy: -355.064
Base-Backbone interact. energy: -1.529
local terms energy: -396.620045
where:
bonds (distance) C4'-P energy: -90.769
bonds (distance) P-C4' energy: -107.722
flat angles C4'-P-C4' energy: -81.061
flat angles P-C4'-P energy: -50.625
tors. eta vs tors. theta energy: -66.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1016.299009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.299009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.299009 (E_RNA)
where:
Base-Base interactions energy: -661.714
where: short stacking energy: -301.845
Base-Backbone interact. energy: 8.132
local terms energy: -362.717050
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -88.645
flat angles C4'-P-C4' energy: -97.034
flat angles P-C4'-P energy: -46.067
tors. eta vs tors. theta energy: -47.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -854.238391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.238391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.238391 (E_RNA)
where:
Base-Base interactions energy: -537.543
where: short stacking energy: -226.055
Base-Backbone interact. energy: 2.703
local terms energy: -319.398542
where:
bonds (distance) C4'-P energy: -84.084
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -87.389
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1957.360191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.360191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.360191 (E_RNA)
where:
Base-Base interactions energy: -1389.235
where: short stacking energy: -551.788
Base-Backbone interact. energy: -1.609
local terms energy: -566.515917
where:
bonds (distance) C4'-P energy: -95.093
bonds (distance) P-C4' energy: -109.392
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -95.140
tors. eta vs tors. theta energy: -149.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1850.010088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.010088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.010088 (E_RNA)
where:
Base-Base interactions energy: -1284.091
where: short stacking energy: -545.209
Base-Backbone interact. energy: 4.449
local terms energy: -570.368236
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -109.339
flat angles C4'-P-C4' energy: -122.294
flat angles P-C4'-P energy: -80.664
tors. eta vs tors. theta energy: -148.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1744.554707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.554707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.554707 (E_RNA)
where:
Base-Base interactions energy: -1209.600
where: short stacking energy: -505.351
Base-Backbone interact. energy: -4.305
local terms energy: -530.649089
where:
bonds (distance) C4'-P energy: -104.750
bonds (distance) P-C4' energy: -108.751
flat angles C4'-P-C4' energy: -109.678
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -129.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1721.063371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.063371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.063371 (E_RNA)
where:
Base-Base interactions energy: -1211.821
where: short stacking energy: -493.614
Base-Backbone interact. energy: -3.623
local terms energy: -505.619281
where:
bonds (distance) C4'-P energy: -94.838
bonds (distance) P-C4' energy: -86.356
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -74.033
tors. eta vs tors. theta energy: -125.702
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: 373
Temperature: 1.100000
Total energy: -1612.281138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.281138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.281138 (E_RNA)
where:
Base-Base interactions energy: -1112.508
where: short stacking energy: -485.100
Base-Backbone interact. energy: 3.427
local terms energy: -503.200924
where:
bonds (distance) C4'-P energy: -95.751
bonds (distance) P-C4' energy: -104.036
flat angles C4'-P-C4' energy: -106.822
flat angles P-C4'-P energy: -78.027
tors. eta vs tors. theta energy: -118.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1614.825789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.825789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.825789 (E_RNA)
where:
Base-Base interactions energy: -1133.785
where: short stacking energy: -439.428
Base-Backbone interact. energy: 0.897
local terms energy: -481.937989
where:
bonds (distance) C4'-P energy: -101.005
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -104.899
flat angles P-C4'-P energy: -76.293
tors. eta vs tors. theta energy: -101.060
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: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1343.204022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.204022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.204022 (E_RNA)
where:
Base-Base interactions energy: -914.935
where: short stacking energy: -391.363
Base-Backbone interact. energy: -2.233
local terms energy: -426.035553
where:
bonds (distance) C4'-P energy: -78.212
bonds (distance) P-C4' energy: -91.671
flat angles C4'-P-C4' energy: -106.350
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -87.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1202.518080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.518080 (E_RNA)
where:
Base-Base interactions energy: -795.838
where: short stacking energy: -344.157
Base-Backbone interact. energy: -0.099
local terms energy: -406.581295
where:
bonds (distance) C4'-P energy: -85.669
bonds (distance) P-C4' energy: -89.334
flat angles C4'-P-C4' energy: -88.279
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: -85.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1012.974960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.974960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.974960 (E_RNA)
where:
Base-Base interactions energy: -654.215
where: short stacking energy: -291.339
Base-Backbone interact. energy: 3.058
local terms energy: -361.817663
where:
bonds (distance) C4'-P energy: -89.267
bonds (distance) P-C4' energy: -84.351
flat angles C4'-P-C4' energy: -89.437
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -877.155686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.155686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.155686 (E_RNA)
where:
Base-Base interactions energy: -546.700
where: short stacking energy: -271.359
Base-Backbone interact. energy: -1.723
local terms energy: -328.733374
where:
bonds (distance) C4'-P energy: -82.137
bonds (distance) P-C4' energy: -79.187
flat angles C4'-P-C4' energy: -89.702
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -33.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1945.856374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.856374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.856374 (E_RNA)
where:
Base-Base interactions energy: -1367.098
where: short stacking energy: -551.563
Base-Backbone interact. energy: -3.196
local terms energy: -575.563198
where:
bonds (distance) C4'-P energy: -109.192
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -128.990
flat angles P-C4'-P energy: -76.922
tors. eta vs tors. theta energy: -148.553
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: 374
Temperature: 0.950000
Total energy: -1872.472862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.472862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.472862 (E_RNA)
where:
Base-Base interactions energy: -1296.209
where: short stacking energy: -551.499
Base-Backbone interact. energy: -0.261
local terms energy: -576.002807
where:
bonds (distance) C4'-P energy: -101.948
bonds (distance) P-C4' energy: -103.841
flat angles C4'-P-C4' energy: -131.636
flat angles P-C4'-P energy: -79.988
tors. eta vs tors. theta energy: -158.589
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: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1814.315200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.315200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.315200 (E_RNA)
where:
Base-Base interactions energy: -1286.169
where: short stacking energy: -521.155
Base-Backbone interact. energy: -5.172
local terms energy: -522.974270
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -94.105
flat angles C4'-P-C4' energy: -115.255
flat angles P-C4'-P energy: -74.569
tors. eta vs tors. theta energy: -145.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1717.708738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.708738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.708738 (E_RNA)
where:
Base-Base interactions energy: -1211.667
where: short stacking energy: -487.471
Base-Backbone interact. energy: -2.414
local terms energy: -503.628523
where:
bonds (distance) C4'-P energy: -85.261
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -112.629
flat angles P-C4'-P energy: -78.646
tors. eta vs tors. theta energy: -133.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1652.098651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.098651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.098651 (E_RNA)
where:
Base-Base interactions energy: -1164.587
where: short stacking energy: -484.783
Base-Backbone interact. energy: -3.349
local terms energy: -484.162648
where:
bonds (distance) C4'-P energy: -89.992
bonds (distance) P-C4' energy: -85.934
flat angles C4'-P-C4' energy: -107.985
flat angles P-C4'-P energy: -78.927
tors. eta vs tors. theta energy: -121.324
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: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1532.553754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.553754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.553754 (E_RNA)
where:
Base-Base interactions energy: -1076.653
where: short stacking energy: -449.584
Base-Backbone interact. energy: -1.363
local terms energy: -454.537852
where:
bonds (distance) C4'-P energy: -79.106
bonds (distance) P-C4' energy: -101.662
flat angles C4'-P-C4' energy: -100.146
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -103.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1347.475402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.475402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.475402 (E_RNA)
where:
Base-Base interactions energy: -906.318
where: short stacking energy: -388.018
Base-Backbone interact. energy: -2.335
local terms energy: -438.822697
where:
bonds (distance) C4'-P energy: -91.036
bonds (distance) P-C4' energy: -81.945
flat angles C4'-P-C4' energy: -100.414
flat angles P-C4'-P energy: -75.855
tors. eta vs tors. theta energy: -89.573
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1199.954677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.954677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.954677 (E_RNA)
where:
Base-Base interactions energy: -807.386
where: short stacking energy: -340.821
Base-Backbone interact. energy: 1.589
local terms energy: -394.157774
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -84.813
flat angles C4'-P-C4' energy: -98.206
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -69.222
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: 374
Temperature: 1.300000
Total energy: -1043.812591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.812591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.812591 (E_RNA)
where:
Base-Base interactions energy: -645.132
where: short stacking energy: -300.145
Base-Backbone interact. energy: -3.173
local terms energy: -395.507599
where:
bonds (distance) C4'-P energy: -104.176
bonds (distance) P-C4' energy: -72.700
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -54.981
tors. eta vs tors. theta energy: -58.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -877.291955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.291955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.291955 (E_RNA)
where:
Base-Base interactions energy: -550.224
where: short stacking energy: -269.120
Base-Backbone interact. energy: -0.934
local terms energy: -326.133426
where:
bonds (distance) C4'-P energy: -84.708
bonds (distance) P-C4' energy: -76.856
flat angles C4'-P-C4' energy: -70.570
flat angles P-C4'-P energy: -51.417
tors. eta vs tors. theta energy: -42.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1950.424272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.424272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.424272 (E_RNA)
where:
Base-Base interactions energy: -1375.485
where: short stacking energy: -560.964
Base-Backbone interact. energy: 2.161
local terms energy: -577.100053
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -129.722
flat angles P-C4'-P energy: -82.508
tors. eta vs tors. theta energy: -158.418
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: 375
Temperature: 0.950000
Total energy: -1871.921492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.921492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.921492 (E_RNA)
where:
Base-Base interactions energy: -1308.097
where: short stacking energy: -535.080
Base-Backbone interact. energy: -3.132
local terms energy: -560.692356
where:
bonds (distance) C4'-P energy: -99.853
bonds (distance) P-C4' energy: -107.235
flat angles C4'-P-C4' energy: -120.750
flat angles P-C4'-P energy: -85.884
tors. eta vs tors. theta energy: -146.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1815.918922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.918922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.918922 (E_RNA)
where:
Base-Base interactions energy: -1310.895
where: short stacking energy: -519.433
Base-Backbone interact. energy: 1.942
local terms energy: -506.965774
where:
bonds (distance) C4'-P energy: -91.947
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -108.378
flat angles P-C4'-P energy: -62.406
tors. eta vs tors. theta energy: -140.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1697.616016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.616016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.616016 (E_RNA)
where:
Base-Base interactions energy: -1190.993
where: short stacking energy: -515.521
Base-Backbone interact. energy: -3.758
local terms energy: -502.865132
where:
bonds (distance) C4'-P energy: -105.800
bonds (distance) P-C4' energy: -99.991
flat angles C4'-P-C4' energy: -106.153
flat angles P-C4'-P energy: -63.933
tors. eta vs tors. theta energy: -126.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1671.486683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.486683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.486683 (E_RNA)
where:
Base-Base interactions energy: -1170.983
where: short stacking energy: -484.086
Base-Backbone interact. energy: -3.709
local terms energy: -496.794632
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -99.922
flat angles C4'-P-C4' energy: -110.099
flat angles P-C4'-P energy: -63.667
tors. eta vs tors. theta energy: -131.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1525.828067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.828067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.828067 (E_RNA)
where:
Base-Base interactions energy: -1070.869
where: short stacking energy: -479.696
Base-Backbone interact. energy: -3.316
local terms energy: -451.642997
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -83.341
flat angles C4'-P-C4' energy: -104.268
flat angles P-C4'-P energy: -67.654
tors. eta vs tors. theta energy: -121.616
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1365.066478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.066478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.066478 (E_RNA)
where:
Base-Base interactions energy: -940.842
where: short stacking energy: -403.617
Base-Backbone interact. energy: -2.839
local terms energy: -421.385265
where:
bonds (distance) C4'-P energy: -73.989
bonds (distance) P-C4' energy: -90.388
flat angles C4'-P-C4' energy: -116.564
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -94.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1174.413573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.413573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.413573 (E_RNA)
where:
Base-Base interactions energy: -780.194
where: short stacking energy: -338.851
Base-Backbone interact. energy: 0.679
local terms energy: -394.897988
where:
bonds (distance) C4'-P energy: -80.798
bonds (distance) P-C4' energy: -97.106
flat angles C4'-P-C4' energy: -87.519
flat angles P-C4'-P energy: -56.785
tors. eta vs tors. theta energy: -72.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1069.288138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.288138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.288138 (E_RNA)
where:
Base-Base interactions energy: -692.203
where: short stacking energy: -323.926
Base-Backbone interact. energy: 3.606
local terms energy: -380.691257
where:
bonds (distance) C4'-P energy: -79.810
bonds (distance) P-C4' energy: -96.303
flat angles C4'-P-C4' energy: -87.585
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -61.517
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: 375
Temperature: 1.350000
Total energy: -883.365498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.365498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.365498 (E_RNA)
where:
Base-Base interactions energy: -543.283
where: short stacking energy: -254.938
Base-Backbone interact. energy: -2.556
local terms energy: -337.526256
where:
bonds (distance) C4'-P energy: -94.135
bonds (distance) P-C4' energy: -87.221
flat angles C4'-P-C4' energy: -84.850
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -37.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1944.440044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.440044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.440044 (E_RNA)
where:
Base-Base interactions energy: -1381.050
where: short stacking energy: -545.590
Base-Backbone interact. energy: -3.531
local terms energy: -559.858974
where:
bonds (distance) C4'-P energy: -93.300
bonds (distance) P-C4' energy: -119.326
flat angles C4'-P-C4' energy: -113.161
flat angles P-C4'-P energy: -76.305
tors. eta vs tors. theta energy: -157.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1856.474722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.474722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.474722 (E_RNA)
where:
Base-Base interactions energy: -1322.530
where: short stacking energy: -562.500
Base-Backbone interact. energy: -1.017
local terms energy: -532.927950
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -120.463
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -149.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1875.944662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.944662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.944662 (E_RNA)
where:
Base-Base interactions energy: -1329.855
where: short stacking energy: -537.114
Base-Backbone interact. energy: 0.318
local terms energy: -546.408226
where:
bonds (distance) C4'-P energy: -94.665
bonds (distance) P-C4' energy: -102.126
flat angles C4'-P-C4' energy: -120.217
flat angles P-C4'-P energy: -86.887
tors. eta vs tors. theta energy: -142.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1749.065530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.065530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.065530 (E_RNA)
where:
Base-Base interactions energy: -1227.902
where: short stacking energy: -487.712
Base-Backbone interact. energy: -4.274
local terms energy: -516.889260
where:
bonds (distance) C4'-P energy: -89.183
bonds (distance) P-C4' energy: -104.221
flat angles C4'-P-C4' energy: -119.996
flat angles P-C4'-P energy: -80.511
tors. eta vs tors. theta energy: -122.978
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1626.638974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.638974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.638974 (E_RNA)
where:
Base-Base interactions energy: -1124.708
where: short stacking energy: -468.679
Base-Backbone interact. energy: -3.940
local terms energy: -497.990502
where:
bonds (distance) C4'-P energy: -94.098
bonds (distance) P-C4' energy: -100.095
flat angles C4'-P-C4' energy: -112.814
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -121.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1544.275019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.275019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.275019 (E_RNA)
where:
Base-Base interactions energy: -1056.764
where: short stacking energy: -444.631
Base-Backbone interact. energy: -2.022
local terms energy: -485.489343
where:
bonds (distance) C4'-P energy: -90.377
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -112.084
flat angles P-C4'-P energy: -71.048
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1363.398212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.398212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.398212 (E_RNA)
where:
Base-Base interactions energy: -931.655
where: short stacking energy: -394.282
Base-Backbone interact. energy: -1.806
local terms energy: -429.937405
where:
bonds (distance) C4'-P energy: -85.637
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -109.254
flat angles P-C4'-P energy: -62.069
tors. eta vs tors. theta energy: -95.687
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1177.712445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.712445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.712445 (E_RNA)
where:
Base-Base interactions energy: -805.354
where: short stacking energy: -364.032
Base-Backbone interact. energy: -0.488
local terms energy: -371.870115
where:
bonds (distance) C4'-P energy: -76.765
bonds (distance) P-C4' energy: -81.272
flat angles C4'-P-C4' energy: -89.794
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -78.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1005.989848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.989848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.989848 (E_RNA)
where:
Base-Base interactions energy: -650.424
where: short stacking energy: -288.752
Base-Backbone interact. energy: -2.102
local terms energy: -353.463848
where:
bonds (distance) C4'-P energy: -82.735
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -86.509
flat angles P-C4'-P energy: -49.622
tors. eta vs tors. theta energy: -45.494
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: 376
Temperature: 1.350000
Total energy: -839.079416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.079416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.079416 (E_RNA)
where:
Base-Base interactions energy: -538.220
where: short stacking energy: -243.441
Base-Backbone interact. energy: 1.424
local terms energy: -302.283523
where:
bonds (distance) C4'-P energy: -82.805
bonds (distance) P-C4' energy: -83.408
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1957.164538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.164538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.164538 (E_RNA)
where:
Base-Base interactions energy: -1377.922
where: short stacking energy: -551.743
Base-Backbone interact. energy: 1.332
local terms energy: -580.574505
where:
bonds (distance) C4'-P energy: -102.468
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -125.593
flat angles P-C4'-P energy: -87.990
tors. eta vs tors. theta energy: -155.449
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: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1863.425645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.425645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.425645 (E_RNA)
where:
Base-Base interactions energy: -1316.903
where: short stacking energy: -535.955
Base-Backbone interact. energy: -5.823
local terms energy: -540.699529
where:
bonds (distance) C4'-P energy: -96.648
bonds (distance) P-C4' energy: -107.194
flat angles C4'-P-C4' energy: -119.344
flat angles P-C4'-P energy: -76.925
tors. eta vs tors. theta energy: -140.589
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: 377
Temperature: 1.000000
Total energy: -1777.829395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.829395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.829395 (E_RNA)
where:
Base-Base interactions energy: -1234.777
where: short stacking energy: -536.349
Base-Backbone interact. energy: -1.534
local terms energy: -541.518232
where:
bonds (distance) C4'-P energy: -84.954
bonds (distance) P-C4' energy: -111.182
flat angles C4'-P-C4' energy: -113.397
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -139.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1715.362279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.362279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.362279 (E_RNA)
where:
Base-Base interactions energy: -1215.319
where: short stacking energy: -502.511
Base-Backbone interact. energy: -3.274
local terms energy: -496.769291
where:
bonds (distance) C4'-P energy: -92.075
bonds (distance) P-C4' energy: -89.308
flat angles C4'-P-C4' energy: -110.255
flat angles P-C4'-P energy: -78.152
tors. eta vs tors. theta energy: -126.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1639.207977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.207977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.207977 (E_RNA)
where:
Base-Base interactions energy: -1135.553
where: short stacking energy: -450.083
Base-Backbone interact. energy: -1.585
local terms energy: -502.070781
where:
bonds (distance) C4'-P energy: -89.474
bonds (distance) P-C4' energy: -107.937
flat angles C4'-P-C4' energy: -108.794
flat angles P-C4'-P energy: -81.676
tors. eta vs tors. theta energy: -114.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1538.871963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.871963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.871963 (E_RNA)
where:
Base-Base interactions energy: -1065.068
where: short stacking energy: -435.157
Base-Backbone interact. energy: 2.606
local terms energy: -476.410462
where:
bonds (distance) C4'-P energy: -89.382
bonds (distance) P-C4' energy: -94.063
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -71.778
tors. eta vs tors. theta energy: -108.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1396.288144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.288144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.288144 (E_RNA)
where:
Base-Base interactions energy: -942.878
where: short stacking energy: -416.621
Base-Backbone interact. energy: -1.916
local terms energy: -451.494738
where:
bonds (distance) C4'-P energy: -87.745
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -96.661
flat angles P-C4'-P energy: -66.072
tors. eta vs tors. theta energy: -99.021
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: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1201.569835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.569835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.569835 (E_RNA)
where:
Base-Base interactions energy: -795.107
where: short stacking energy: -326.668
Base-Backbone interact. energy: -1.349
local terms energy: -405.114333
where:
bonds (distance) C4'-P energy: -72.715
bonds (distance) P-C4' energy: -106.479
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -51.564
tors. eta vs tors. theta energy: -75.170
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: 377
Temperature: 1.300000
Total energy: -994.687830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.687830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.687830 (E_RNA)
where:
Base-Base interactions energy: -628.479
where: short stacking energy: -273.792
Base-Backbone interact. energy: -1.922
local terms energy: -364.287386
where:
bonds (distance) C4'-P energy: -81.254
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -93.223
flat angles P-C4'-P energy: -55.662
tors. eta vs tors. theta energy: -48.602
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: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -853.840720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.840720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.840720 (E_RNA)
where:
Base-Base interactions energy: -529.069
where: short stacking energy: -271.163
Base-Backbone interact. energy: 3.874
local terms energy: -328.644816
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -87.284
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -59.294
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1937.215184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.215184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.215184 (E_RNA)
where:
Base-Base interactions energy: -1406.916
where: short stacking energy: -556.691
Base-Backbone interact. energy: -0.320
local terms energy: -529.978441
where:
bonds (distance) C4'-P energy: -94.251
bonds (distance) P-C4' energy: -99.386
flat angles C4'-P-C4' energy: -124.289
flat angles P-C4'-P energy: -63.922
tors. eta vs tors. theta energy: -148.130
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: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1865.679139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.679139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.679139 (E_RNA)
where:
Base-Base interactions energy: -1324.207
where: short stacking energy: -544.642
Base-Backbone interact. energy: 0.218
local terms energy: -541.690492
where:
bonds (distance) C4'-P energy: -93.579
bonds (distance) P-C4' energy: -105.612
flat angles C4'-P-C4' energy: -119.590
flat angles P-C4'-P energy: -73.548
tors. eta vs tors. theta energy: -149.360
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1789.758889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.758889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.758889 (E_RNA)
where:
Base-Base interactions energy: -1248.651
where: short stacking energy: -516.908
Base-Backbone interact. energy: -0.767
local terms energy: -540.341464
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -85.290
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: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1718.347750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.347750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.347750 (E_RNA)
where:
Base-Base interactions energy: -1243.759
where: short stacking energy: -513.145
Base-Backbone interact. energy: -0.079
local terms energy: -474.509802
where:
bonds (distance) C4'-P energy: -97.192
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -114.696
flat angles P-C4'-P energy: -55.330
tors. eta vs tors. theta energy: -117.528
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1667.751425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.751425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.751425 (E_RNA)
where:
Base-Base interactions energy: -1173.640
where: short stacking energy: -480.353
Base-Backbone interact. energy: 0.164
local terms energy: -494.276026
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -100.287
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -72.999
tors. eta vs tors. theta energy: -113.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1538.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.777508 (E_RNA)
where:
Base-Base interactions energy: -1054.199
where: short stacking energy: -428.304
Base-Backbone interact. energy: -3.236
local terms energy: -481.342215
where:
bonds (distance) C4'-P energy: -94.688
bonds (distance) P-C4' energy: -88.161
flat angles C4'-P-C4' energy: -107.532
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -105.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1346.321171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.321171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.321171 (E_RNA)
where:
Base-Base interactions energy: -930.857
where: short stacking energy: -395.899
Base-Backbone interact. energy: 0.841
local terms energy: -416.305377
where:
bonds (distance) C4'-P energy: -78.646
bonds (distance) P-C4' energy: -92.897
flat angles C4'-P-C4' energy: -97.630
flat angles P-C4'-P energy: -49.438
tors. eta vs tors. theta energy: -97.695
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: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1208.623686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.623686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.623686 (E_RNA)
where:
Base-Base interactions energy: -772.942
where: short stacking energy: -344.520
Base-Backbone interact. energy: -1.290
local terms energy: -434.391956
where:
bonds (distance) C4'-P energy: -91.900
bonds (distance) P-C4' energy: -98.146
flat angles C4'-P-C4' energy: -98.548
flat angles P-C4'-P energy: -71.190
tors. eta vs tors. theta energy: -74.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1003.138089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.138089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.138089 (E_RNA)
where:
Base-Base interactions energy: -649.836
where: short stacking energy: -287.207
Base-Backbone interact. energy: -5.495
local terms energy: -347.806614
where:
bonds (distance) C4'-P energy: -79.181
bonds (distance) P-C4' energy: -91.637
flat angles C4'-P-C4' energy: -90.596
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -39.557
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: 378
Temperature: 1.350000
Total energy: -812.620388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.620388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.620388 (E_RNA)
where:
Base-Base interactions energy: -478.883
where: short stacking energy: -232.567
Base-Backbone interact. energy: -1.774
local terms energy: -331.963086
where:
bonds (distance) C4'-P energy: -80.295
bonds (distance) P-C4' energy: -93.396
flat angles C4'-P-C4' energy: -85.031
flat angles P-C4'-P energy: -49.180
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1936.943207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.943207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.943207 (E_RNA)
where:
Base-Base interactions energy: -1370.915
where: short stacking energy: -558.442
Base-Backbone interact. energy: -0.874
local terms energy: -565.154618
where:
bonds (distance) C4'-P energy: -101.803
bonds (distance) P-C4' energy: -107.120
flat angles C4'-P-C4' energy: -119.946
flat angles P-C4'-P energy: -83.761
tors. eta vs tors. theta energy: -152.524
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: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1863.743485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.743485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.743485 (E_RNA)
where:
Base-Base interactions energy: -1337.663
where: short stacking energy: -552.382
Base-Backbone interact. energy: -0.080
local terms energy: -525.999645
where:
bonds (distance) C4'-P energy: -96.605
bonds (distance) P-C4' energy: -87.525
flat angles C4'-P-C4' energy: -116.003
flat angles P-C4'-P energy: -74.902
tors. eta vs tors. theta energy: -150.964
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: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1776.658270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.658270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.658270 (E_RNA)
where:
Base-Base interactions energy: -1246.121
where: short stacking energy: -515.493
Base-Backbone interact. energy: 3.799
local terms energy: -534.335793
where:
bonds (distance) C4'-P energy: -92.307
bonds (distance) P-C4' energy: -105.968
flat angles C4'-P-C4' energy: -121.409
flat angles P-C4'-P energy: -76.654
tors. eta vs tors. theta energy: -137.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1709.268852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.268852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.268852 (E_RNA)
where:
Base-Base interactions energy: -1182.370
where: short stacking energy: -507.346
Base-Backbone interact. energy: -1.914
local terms energy: -524.985113
where:
bonds (distance) C4'-P energy: -92.934
bonds (distance) P-C4' energy: -101.231
flat angles C4'-P-C4' energy: -114.062
flat angles P-C4'-P energy: -79.937
tors. eta vs tors. theta energy: -136.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1631.243687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.243687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.243687 (E_RNA)
where:
Base-Base interactions energy: -1161.861
where: short stacking energy: -450.037
Base-Backbone interact. energy: -0.271
local terms energy: -469.111645
where:
bonds (distance) C4'-P energy: -89.086
bonds (distance) P-C4' energy: -84.400
flat angles C4'-P-C4' energy: -118.124
flat angles P-C4'-P energy: -71.221
tors. eta vs tors. theta energy: -106.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1575.377704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.377704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.377704 (E_RNA)
where:
Base-Base interactions energy: -1078.963
where: short stacking energy: -456.851
Base-Backbone interact. energy: -0.416
local terms energy: -495.998662
where:
bonds (distance) C4'-P energy: -87.402
bonds (distance) P-C4' energy: -108.542
flat angles C4'-P-C4' energy: -106.519
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -117.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1387.399581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.399581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.399581 (E_RNA)
where:
Base-Base interactions energy: -952.611
where: short stacking energy: -401.754
Base-Backbone interact. energy: 0.352
local terms energy: -435.140232
where:
bonds (distance) C4'-P energy: -102.057
bonds (distance) P-C4' energy: -101.698
flat angles C4'-P-C4' energy: -87.005
flat angles P-C4'-P energy: -55.713
tors. eta vs tors. theta energy: -88.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1183.092756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.092756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.092756 (E_RNA)
where:
Base-Base interactions energy: -782.423
where: short stacking energy: -334.527
Base-Backbone interact. energy: 1.632
local terms energy: -402.302482
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -91.714
flat angles C4'-P-C4' energy: -102.083
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: -64.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1006.764346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.764346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.764346 (E_RNA)
where:
Base-Base interactions energy: -655.640
where: short stacking energy: -282.499
Base-Backbone interact. energy: 0.930
local terms energy: -352.054355
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -76.672
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -56.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -826.377016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.377016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.377016 (E_RNA)
where:
Base-Base interactions energy: -485.718
where: short stacking energy: -228.664
Base-Backbone interact. energy: -2.162
local terms energy: -338.496399
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -98.421
flat angles C4'-P-C4' energy: -84.105
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1968.197073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.197073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.197073 (E_RNA)
where:
Base-Base interactions energy: -1406.802
where: short stacking energy: -567.165
Base-Backbone interact. energy: -4.780
local terms energy: -556.615115
where:
bonds (distance) C4'-P energy: -100.132
bonds (distance) P-C4' energy: -107.437
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -80.376
tors. eta vs tors. theta energy: -149.092
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: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1902.719657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.719657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.719657 (E_RNA)
where:
Base-Base interactions energy: -1336.072
where: short stacking energy: -552.668
Base-Backbone interact. energy: -2.858
local terms energy: -563.789687
where:
bonds (distance) C4'-P energy: -104.751
bonds (distance) P-C4' energy: -102.259
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -84.947
tors. eta vs tors. theta energy: -159.323
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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1794.744803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.744803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.744803 (E_RNA)
where:
Base-Base interactions energy: -1256.976
where: short stacking energy: -542.782
Base-Backbone interact. energy: 0.700
local terms energy: -538.468797
where:
bonds (distance) C4'-P energy: -98.356
bonds (distance) P-C4' energy: -103.949
flat angles C4'-P-C4' energy: -112.324
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: -142.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1699.990378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.990378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.990378 (E_RNA)
where:
Base-Base interactions energy: -1180.490
where: short stacking energy: -488.774
Base-Backbone interact. energy: -1.059
local terms energy: -518.441711
where:
bonds (distance) C4'-P energy: -101.028
bonds (distance) P-C4' energy: -93.236
flat angles C4'-P-C4' energy: -112.714
flat angles P-C4'-P energy: -81.592
tors. eta vs tors. theta energy: -129.871
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1682.076809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.076809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.076809 (E_RNA)
where:
Base-Base interactions energy: -1195.768
where: short stacking energy: -486.627
Base-Backbone interact. energy: 2.436
local terms energy: -488.745181
where:
bonds (distance) C4'-P energy: -90.743
bonds (distance) P-C4' energy: -89.152
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -60.882
tors. eta vs tors. theta energy: -137.175
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1515.385696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.385696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.385696 (E_RNA)
where:
Base-Base interactions energy: -1016.606
where: short stacking energy: -428.404
Base-Backbone interact. energy: 4.151
local terms energy: -502.930446
where:
bonds (distance) C4'-P energy: -122.297
bonds (distance) P-C4' energy: -98.859
flat angles C4'-P-C4' energy: -109.856
flat angles P-C4'-P energy: -65.912
tors. eta vs tors. theta energy: -106.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1382.849186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.849186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.849186 (E_RNA)
where:
Base-Base interactions energy: -978.198
where: short stacking energy: -387.516
Base-Backbone interact. energy: 3.333
local terms energy: -407.983992
where:
bonds (distance) C4'-P energy: -84.805
bonds (distance) P-C4' energy: -82.114
flat angles C4'-P-C4' energy: -92.035
flat angles P-C4'-P energy: -66.151
tors. eta vs tors. theta energy: -82.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1173.877889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.877889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.877889 (E_RNA)
where:
Base-Base interactions energy: -788.347
where: short stacking energy: -334.015
Base-Backbone interact. energy: -2.212
local terms energy: -383.319641
where:
bonds (distance) C4'-P energy: -82.861
bonds (distance) P-C4' energy: -88.785
flat angles C4'-P-C4' energy: -89.354
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: -80.407
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: 380
Temperature: 1.300000
Total energy: -1042.080886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.080886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.080886 (E_RNA)
where:
Base-Base interactions energy: -680.603
where: short stacking energy: -294.699
Base-Backbone interact. energy: -1.176
local terms energy: -360.301728
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -80.976
flat angles C4'-P-C4' energy: -88.626
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -52.407
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: 380
Temperature: 1.350000
Total energy: -822.280793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.280793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.280793 (E_RNA)
where:
Base-Base interactions energy: -494.566
where: short stacking energy: -226.718
Base-Backbone interact. energy: 0.950
local terms energy: -328.664927
where:
bonds (distance) C4'-P energy: -84.450
bonds (distance) P-C4' energy: -85.599
flat angles C4'-P-C4' energy: -63.239
flat angles P-C4'-P energy: -54.225
tors. eta vs tors. theta energy: -41.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1958.751359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.751359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.751359 (E_RNA)
where:
Base-Base interactions energy: -1396.849
where: short stacking energy: -558.210
Base-Backbone interact. energy: -3.912
local terms energy: -557.990778
where:
bonds (distance) C4'-P energy: -93.531
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -118.512
flat angles P-C4'-P energy: -80.591
tors. eta vs tors. theta energy: -153.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1878.660934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.660934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.660934 (E_RNA)
where:
Base-Base interactions energy: -1321.571
where: short stacking energy: -544.326
Base-Backbone interact. energy: -3.184
local terms energy: -553.906205
where:
bonds (distance) C4'-P energy: -100.865
bonds (distance) P-C4' energy: -97.876
flat angles C4'-P-C4' energy: -120.100
flat angles P-C4'-P energy: -79.952
tors. eta vs tors. theta energy: -155.112
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: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1803.615238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.615238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.615238 (E_RNA)
where:
Base-Base interactions energy: -1234.697
where: short stacking energy: -513.238
Base-Backbone interact. energy: 0.391
local terms energy: -569.309400
where:
bonds (distance) C4'-P energy: -104.894
bonds (distance) P-C4' energy: -114.258
flat angles C4'-P-C4' energy: -116.961
flat angles P-C4'-P energy: -92.885
tors. eta vs tors. theta energy: -140.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1685.959776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.959776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.959776 (E_RNA)
where:
Base-Base interactions energy: -1189.628
where: short stacking energy: -484.927
Base-Backbone interact. energy: -0.723
local terms energy: -495.609447
where:
bonds (distance) C4'-P energy: -94.167
bonds (distance) P-C4' energy: -95.563
flat angles C4'-P-C4' energy: -114.280
flat angles P-C4'-P energy: -78.882
tors. eta vs tors. theta energy: -112.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1666.681877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.681877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.681877 (E_RNA)
where:
Base-Base interactions energy: -1171.832
where: short stacking energy: -484.330
Base-Backbone interact. energy: -2.248
local terms energy: -492.601626
where:
bonds (distance) C4'-P energy: -93.337
bonds (distance) P-C4' energy: -106.502
flat angles C4'-P-C4' energy: -105.957
flat angles P-C4'-P energy: -67.503
tors. eta vs tors. theta energy: -119.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1553.186243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.186243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.186243 (E_RNA)
where:
Base-Base interactions energy: -1082.263
where: short stacking energy: -456.202
Base-Backbone interact. energy: -1.019
local terms energy: -469.903606
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -105.458
flat angles C4'-P-C4' energy: -108.370
flat angles P-C4'-P energy: -66.512
tors. eta vs tors. theta energy: -116.854
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1323.101998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.101998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.101998 (E_RNA)
where:
Base-Base interactions energy: -937.055
where: short stacking energy: -383.835
Base-Backbone interact. energy: -3.352
local terms energy: -382.694731
where:
bonds (distance) C4'-P energy: -63.371
bonds (distance) P-C4' energy: -94.507
flat angles C4'-P-C4' energy: -90.036
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -78.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1207.125633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.125633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.125633 (E_RNA)
where:
Base-Base interactions energy: -806.695
where: short stacking energy: -366.922
Base-Backbone interact. energy: 0.149
local terms energy: -400.579333
where:
bonds (distance) C4'-P energy: -88.989
bonds (distance) P-C4' energy: -89.637
flat angles C4'-P-C4' energy: -99.510
flat angles P-C4'-P energy: -55.541
tors. eta vs tors. theta energy: -66.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1046.662277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.662277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.662277 (E_RNA)
where:
Base-Base interactions energy: -669.497
where: short stacking energy: -300.313
Base-Backbone interact. energy: -1.818
local terms energy: -375.347454
where:
bonds (distance) C4'-P energy: -83.207
bonds (distance) P-C4' energy: -93.074
flat angles C4'-P-C4' energy: -84.198
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -61.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -897.585216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.585216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.585216 (E_RNA)
where:
Base-Base interactions energy: -533.161
where: short stacking energy: -231.578
Base-Backbone interact. energy: 1.853
local terms energy: -366.277426
where:
bonds (distance) C4'-P energy: -99.174
bonds (distance) P-C4' energy: -96.885
flat angles C4'-P-C4' energy: -92.111
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -34.147
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: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1901.164623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.164623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.164623 (E_RNA)
where:
Base-Base interactions energy: -1342.280
where: short stacking energy: -547.171
Base-Backbone interact. energy: -3.846
local terms energy: -555.038450
where:
bonds (distance) C4'-P energy: -98.865
bonds (distance) P-C4' energy: -110.002
flat angles C4'-P-C4' energy: -126.119
flat angles P-C4'-P energy: -79.174
tors. eta vs tors. theta energy: -140.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1907.346089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.346089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.346089 (E_RNA)
where:
Base-Base interactions energy: -1340.511
where: short stacking energy: -540.809
Base-Backbone interact. energy: 1.572
local terms energy: -568.408024
where:
bonds (distance) C4'-P energy: -105.942
bonds (distance) P-C4' energy: -105.760
flat angles C4'-P-C4' energy: -119.965
flat angles P-C4'-P energy: -84.562
tors. eta vs tors. theta energy: -152.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1780.913409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.913409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.913409 (E_RNA)
where:
Base-Base interactions energy: -1230.021
where: short stacking energy: -527.133
Base-Backbone interact. energy: -0.580
local terms energy: -550.312403
where:
bonds (distance) C4'-P energy: -110.938
bonds (distance) P-C4' energy: -116.603
flat angles C4'-P-C4' energy: -112.252
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -136.002
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: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1697.166816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.166816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.166816 (E_RNA)
where:
Base-Base interactions energy: -1182.184
where: short stacking energy: -496.985
Base-Backbone interact. energy: -3.899
local terms energy: -511.083927
where:
bonds (distance) C4'-P energy: -110.711
bonds (distance) P-C4' energy: -85.067
flat angles C4'-P-C4' energy: -118.102
flat angles P-C4'-P energy: -73.192
tors. eta vs tors. theta energy: -124.013
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: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1717.920068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.920068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.920068 (E_RNA)
where:
Base-Base interactions energy: -1210.925
where: short stacking energy: -489.094
Base-Backbone interact. energy: 2.393
local terms energy: -509.388329
where:
bonds (distance) C4'-P energy: -95.788
bonds (distance) P-C4' energy: -99.489
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -75.740
tors. eta vs tors. theta energy: -137.436
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: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1534.314519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.314519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.314519 (E_RNA)
where:
Base-Base interactions energy: -1060.988
where: short stacking energy: -461.424
Base-Backbone interact. energy: -2.257
local terms energy: -471.069385
where:
bonds (distance) C4'-P energy: -87.147
bonds (distance) P-C4' energy: -103.605
flat angles C4'-P-C4' energy: -104.653
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -120.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1366.122130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.122130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.122130 (E_RNA)
where:
Base-Base interactions energy: -907.714
where: short stacking energy: -392.164
Base-Backbone interact. energy: 3.380
local terms energy: -461.788211
where:
bonds (distance) C4'-P energy: -102.535
bonds (distance) P-C4' energy: -110.574
flat angles C4'-P-C4' energy: -91.779
flat angles P-C4'-P energy: -67.775
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: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1176.346906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.346906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.346906 (E_RNA)
where:
Base-Base interactions energy: -751.497
where: short stacking energy: -325.159
Base-Backbone interact. energy: 4.035
local terms energy: -428.884850
where:
bonds (distance) C4'-P energy: -88.524
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -69.408
tors. eta vs tors. theta energy: -79.277
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: 382
Temperature: 1.300000
Total energy: -1037.332904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.332904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.332904 (E_RNA)
where:
Base-Base interactions energy: -655.584
where: short stacking energy: -317.869
Base-Backbone interact. energy: -0.297
local terms energy: -381.452393
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -100.893
flat angles C4'-P-C4' energy: -90.549
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -71.180
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: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -891.394840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.394840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.394840 (E_RNA)
where:
Base-Base interactions energy: -550.934
where: short stacking energy: -262.090
Base-Backbone interact. energy: 0.201
local terms energy: -340.661861
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -89.914
flat angles C4'-P-C4' energy: -89.783
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -39.168
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: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1938.807357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.807357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.807357 (E_RNA)
where:
Base-Base interactions energy: -1361.390
where: short stacking energy: -570.227
Base-Backbone interact. energy: -4.475
local terms energy: -572.942210
where:
bonds (distance) C4'-P energy: -109.135
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -125.288
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -161.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1903.285663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.285663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.285663 (E_RNA)
where:
Base-Base interactions energy: -1345.660
where: short stacking energy: -547.974
Base-Backbone interact. energy: 5.362
local terms energy: -562.986973
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -103.670
flat angles C4'-P-C4' energy: -128.971
flat angles P-C4'-P energy: -79.519
tors. eta vs tors. theta energy: -154.716
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: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1768.254165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.254165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.254165 (E_RNA)
where:
Base-Base interactions energy: -1233.888
where: short stacking energy: -508.128
Base-Backbone interact. energy: -1.390
local terms energy: -532.975445
where:
bonds (distance) C4'-P energy: -103.430
bonds (distance) P-C4' energy: -102.051
flat angles C4'-P-C4' energy: -114.043
flat angles P-C4'-P energy: -72.888
tors. eta vs tors. theta energy: -140.564
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: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1691.674562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.674562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.674562 (E_RNA)
where:
Base-Base interactions energy: -1193.610
where: short stacking energy: -488.793
Base-Backbone interact. energy: 0.686
local terms energy: -498.750198
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -91.214
flat angles C4'-P-C4' energy: -105.317
flat angles P-C4'-P energy: -81.379
tors. eta vs tors. theta energy: -125.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1697.341362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.341362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.341362 (E_RNA)
where:
Base-Base interactions energy: -1179.622
where: short stacking energy: -467.672
Base-Backbone interact. energy: -3.398
local terms energy: -514.321571
where:
bonds (distance) C4'-P energy: -107.313
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -112.666
flat angles P-C4'-P energy: -71.552
tors. eta vs tors. theta energy: -128.868
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: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1477.562078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.562078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.562078 (E_RNA)
where:
Base-Base interactions energy: -1004.049
where: short stacking energy: -420.823
Base-Backbone interact. energy: -2.010
local terms energy: -471.503996
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -95.060
flat angles C4'-P-C4' energy: -103.313
flat angles P-C4'-P energy: -69.271
tors. eta vs tors. theta energy: -108.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1378.010961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.010961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.010961 (E_RNA)
where:
Base-Base interactions energy: -936.129
where: short stacking energy: -386.671
Base-Backbone interact. energy: -2.018
local terms energy: -439.864427
where:
bonds (distance) C4'-P energy: -77.374
bonds (distance) P-C4' energy: -106.342
flat angles C4'-P-C4' energy: -92.522
flat angles P-C4'-P energy: -71.569
tors. eta vs tors. theta energy: -92.057
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: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1218.027725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.027725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.027725 (E_RNA)
where:
Base-Base interactions energy: -792.729
where: short stacking energy: -363.702
Base-Backbone interact. energy: 0.324
local terms energy: -425.623448
where:
bonds (distance) C4'-P energy: -84.149
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -105.065
flat angles P-C4'-P energy: -60.994
tors. eta vs tors. theta energy: -76.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1036.259791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.259791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.259791 (E_RNA)
where:
Base-Base interactions energy: -674.272
where: short stacking energy: -323.054
Base-Backbone interact. energy: -1.856
local terms energy: -360.132067
where:
bonds (distance) C4'-P energy: -70.319
bonds (distance) P-C4' energy: -79.574
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -53.637
tors. eta vs tors. theta energy: -62.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -892.565071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.565071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.565071 (E_RNA)
where:
Base-Base interactions energy: -534.607
where: short stacking energy: -245.822
Base-Backbone interact. energy: 1.134
local terms energy: -359.092846
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -102.329
flat angles C4'-P-C4' energy: -92.805
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1947.452949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.452949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.452949 (E_RNA)
where:
Base-Base interactions energy: -1364.389
where: short stacking energy: -536.159
Base-Backbone interact. energy: -2.797
local terms energy: -580.266839
where:
bonds (distance) C4'-P energy: -115.687
bonds (distance) P-C4' energy: -93.717
flat angles C4'-P-C4' energy: -126.243
flat angles P-C4'-P energy: -87.884
tors. eta vs tors. theta energy: -156.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1874.250743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.250743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.250743 (E_RNA)
where:
Base-Base interactions energy: -1303.522
where: short stacking energy: -528.403
Base-Backbone interact. energy: -3.411
local terms energy: -567.317666
where:
bonds (distance) C4'-P energy: -115.254
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -82.756
tors. eta vs tors. theta energy: -149.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1767.204732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.204732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.204732 (E_RNA)
where:
Base-Base interactions energy: -1220.356
where: short stacking energy: -514.565
Base-Backbone interact. energy: 1.570
local terms energy: -548.419287
where:
bonds (distance) C4'-P energy: -107.343
bonds (distance) P-C4' energy: -113.456
flat angles C4'-P-C4' energy: -118.658
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -132.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1726.554953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.554953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.554953 (E_RNA)
where:
Base-Base interactions energy: -1217.089
where: short stacking energy: -493.227
Base-Backbone interact. energy: -4.078
local terms energy: -505.388612
where:
bonds (distance) C4'-P energy: -108.736
bonds (distance) P-C4' energy: -95.249
flat angles C4'-P-C4' energy: -103.550
flat angles P-C4'-P energy: -70.154
tors. eta vs tors. theta energy: -127.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1686.446626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.446626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.446626 (E_RNA)
where:
Base-Base interactions energy: -1198.643
where: short stacking energy: -503.951
Base-Backbone interact. energy: -3.189
local terms energy: -484.615193
where:
bonds (distance) C4'-P energy: -81.119
bonds (distance) P-C4' energy: -82.326
flat angles C4'-P-C4' energy: -119.083
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -119.285
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: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1479.351301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.351301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.351301 (E_RNA)
where:
Base-Base interactions energy: -1025.042
where: short stacking energy: -411.110
Base-Backbone interact. energy: -2.932
local terms energy: -451.376806
where:
bonds (distance) C4'-P energy: -90.539
bonds (distance) P-C4' energy: -88.170
flat angles C4'-P-C4' energy: -92.469
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -111.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1288.177071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.177071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.177071 (E_RNA)
where:
Base-Base interactions energy: -853.704
where: short stacking energy: -383.312
Base-Backbone interact. energy: -1.380
local terms energy: -433.092864
where:
bonds (distance) C4'-P energy: -82.705
bonds (distance) P-C4' energy: -99.238
flat angles C4'-P-C4' energy: -107.190
flat angles P-C4'-P energy: -64.293
tors. eta vs tors. theta energy: -79.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1326.208296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.208296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.208296 (E_RNA)
where:
Base-Base interactions energy: -916.789
where: short stacking energy: -395.162
Base-Backbone interact. energy: -0.435
local terms energy: -408.984592
where:
bonds (distance) C4'-P energy: -89.651
bonds (distance) P-C4' energy: -84.622
flat angles C4'-P-C4' energy: -78.692
flat angles P-C4'-P energy: -69.993
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: 384
Temperature: 1.300000
Total energy: -982.941409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.941409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.941409 (E_RNA)
where:
Base-Base interactions energy: -615.026
where: short stacking energy: -286.016
Base-Backbone interact. energy: -0.807
local terms energy: -367.108181
where:
bonds (distance) C4'-P energy: -84.547
bonds (distance) P-C4' energy: -96.357
flat angles C4'-P-C4' energy: -94.992
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -846.644611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.644611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.644611 (E_RNA)
where:
Base-Base interactions energy: -517.616
where: short stacking energy: -217.365
Base-Backbone interact. energy: -2.272
local terms energy: -326.756900
where:
bonds (distance) C4'-P energy: -94.144
bonds (distance) P-C4' energy: -88.486
flat angles C4'-P-C4' energy: -71.141
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1958.336377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.336377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.336377 (E_RNA)
where:
Base-Base interactions energy: -1409.839
where: short stacking energy: -583.261
Base-Backbone interact. energy: 0.459
local terms energy: -548.956378
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -96.819
flat angles C4'-P-C4' energy: -118.339
flat angles P-C4'-P energy: -81.752
tors. eta vs tors. theta energy: -159.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1871.978278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.978278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.978278 (E_RNA)
where:
Base-Base interactions energy: -1324.494
where: short stacking energy: -542.521
Base-Backbone interact. energy: -3.960
local terms energy: -543.523909
where:
bonds (distance) C4'-P energy: -100.557
bonds (distance) P-C4' energy: -107.768
flat angles C4'-P-C4' energy: -121.164
flat angles P-C4'-P energy: -79.470
tors. eta vs tors. theta energy: -134.565
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: 385
Temperature: 1.000000
Total energy: -1812.377795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.377795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.377795 (E_RNA)
where:
Base-Base interactions energy: -1276.326
where: short stacking energy: -532.623
Base-Backbone interact. energy: -1.243
local terms energy: -534.808330
where:
bonds (distance) C4'-P energy: -88.024
bonds (distance) P-C4' energy: -107.221
flat angles C4'-P-C4' energy: -114.279
flat angles P-C4'-P energy: -73.135
tors. eta vs tors. theta energy: -152.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1735.809006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.809006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.809006 (E_RNA)
where:
Base-Base interactions energy: -1195.858
where: short stacking energy: -488.615
Base-Backbone interact. energy: -1.402
local terms energy: -538.548514
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -101.863
flat angles C4'-P-C4' energy: -120.339
flat angles P-C4'-P energy: -81.872
tors. eta vs tors. theta energy: -141.082
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1688.747546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.747546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.747546 (E_RNA)
where:
Base-Base interactions energy: -1189.787
where: short stacking energy: -499.240
Base-Backbone interact. energy: -3.598
local terms energy: -495.362317
where:
bonds (distance) C4'-P energy: -80.162
bonds (distance) P-C4' energy: -102.532
flat angles C4'-P-C4' energy: -111.227
flat angles P-C4'-P energy: -59.640
tors. eta vs tors. theta energy: -141.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1504.660071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.660071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.660071 (E_RNA)
where:
Base-Base interactions energy: -1047.012
where: short stacking energy: -426.631
Base-Backbone interact. energy: -1.944
local terms energy: -455.704310
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -102.124
flat angles C4'-P-C4' energy: -92.733
flat angles P-C4'-P energy: -59.761
tors. eta vs tors. theta energy: -110.607
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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1306.505905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.505905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.505905 (E_RNA)
where:
Base-Base interactions energy: -872.350
where: short stacking energy: -378.146
Base-Backbone interact. energy: -4.065
local terms energy: -430.090624
where:
bonds (distance) C4'-P energy: -86.589
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -57.279
tors. eta vs tors. theta energy: -84.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1336.674753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.674753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.674753 (E_RNA)
where:
Base-Base interactions energy: -933.634
where: short stacking energy: -366.437
Base-Backbone interact. energy: 1.227
local terms energy: -404.268099
where:
bonds (distance) C4'-P energy: -85.171
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -93.748
flat angles P-C4'-P energy: -65.445
tors. eta vs tors. theta energy: -71.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -988.409439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.409439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.409439 (E_RNA)
where:
Base-Base interactions energy: -622.069
where: short stacking energy: -286.672
Base-Backbone interact. energy: -2.141
local terms energy: -364.199845
where:
bonds (distance) C4'-P energy: -93.676
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -92.705
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -33.998
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: 385
Temperature: 1.350000
Total energy: -877.927223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.927223 (E_RNA)
where:
Base-Base interactions energy: -555.292
where: short stacking energy: -234.742
Base-Backbone interact. energy: -1.740
local terms energy: -320.895367
where:
bonds (distance) C4'-P energy: -90.739
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -78.830
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1967.367682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.367682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.367682 (E_RNA)
where:
Base-Base interactions energy: -1412.074
where: short stacking energy: -551.532
Base-Backbone interact. energy: -6.300
local terms energy: -548.993298
where:
bonds (distance) C4'-P energy: -99.601
bonds (distance) P-C4' energy: -99.466
flat angles C4'-P-C4' energy: -119.275
flat angles P-C4'-P energy: -80.244
tors. eta vs tors. theta energy: -150.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1854.497342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.497342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.497342 (E_RNA)
where:
Base-Base interactions energy: -1327.434
where: short stacking energy: -528.361
Base-Backbone interact. energy: 0.787
local terms energy: -527.849617
where:
bonds (distance) C4'-P energy: -89.854
bonds (distance) P-C4' energy: -103.477
flat angles C4'-P-C4' energy: -125.387
flat angles P-C4'-P energy: -74.901
tors. eta vs tors. theta energy: -134.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1779.257517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.257517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.257517 (E_RNA)
where:
Base-Base interactions energy: -1245.920
where: short stacking energy: -525.236
Base-Backbone interact. energy: -2.408
local terms energy: -530.929783
where:
bonds (distance) C4'-P energy: -96.413
bonds (distance) P-C4' energy: -107.443
flat angles C4'-P-C4' energy: -107.437
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -139.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1678.449406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.449406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.449406 (E_RNA)
where:
Base-Base interactions energy: -1167.980
where: short stacking energy: -478.270
Base-Backbone interact. energy: -3.080
local terms energy: -507.389191
where:
bonds (distance) C4'-P energy: -106.584
bonds (distance) P-C4' energy: -111.050
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -64.902
tors. eta vs tors. theta energy: -113.242
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: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1630.898520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.898520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.898520 (E_RNA)
where:
Base-Base interactions energy: -1128.877
where: short stacking energy: -486.124
Base-Backbone interact. energy: 0.584
local terms energy: -502.605436
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -105.794
flat angles P-C4'-P energy: -71.745
tors. eta vs tors. theta energy: -117.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1532.508549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.508549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.508549 (E_RNA)
where:
Base-Base interactions energy: -1069.336
where: short stacking energy: -442.871
Base-Backbone interact. energy: -1.922
local terms energy: -461.251161
where:
bonds (distance) C4'-P energy: -76.208
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -109.255
flat angles P-C4'-P energy: -69.447
tors. eta vs tors. theta energy: -108.780
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1381.713204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.713204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.713204 (E_RNA)
where:
Base-Base interactions energy: -958.608
where: short stacking energy: -391.957
Base-Backbone interact. energy: -1.140
local terms energy: -421.965260
where:
bonds (distance) C4'-P energy: -97.543
bonds (distance) P-C4' energy: -80.254
flat angles C4'-P-C4' energy: -106.282
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -87.571
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: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1252.879676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.879676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.879676 (E_RNA)
where:
Base-Base interactions energy: -837.046
where: short stacking energy: -385.530
Base-Backbone interact. energy: -1.794
local terms energy: -414.040042
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -86.768
flat angles C4'-P-C4' energy: -80.122
flat angles P-C4'-P energy: -74.879
tors. eta vs tors. theta energy: -92.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -921.415453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.415453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.415453 (E_RNA)
where:
Base-Base interactions energy: -579.493
where: short stacking energy: -255.290
Base-Backbone interact. energy: 1.915
local terms energy: -343.837896
where:
bonds (distance) C4'-P energy: -72.621
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -79.827
flat angles P-C4'-P energy: -55.100
tors. eta vs tors. theta energy: -30.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -914.195989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.195989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.195989 (E_RNA)
where:
Base-Base interactions energy: -573.301
where: short stacking energy: -270.236
Base-Backbone interact. energy: -0.812
local terms energy: -340.083133
where:
bonds (distance) C4'-P energy: -72.807
bonds (distance) P-C4' energy: -100.397
flat angles C4'-P-C4' energy: -73.971
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1959.714320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.714320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.714320 (E_RNA)
where:
Base-Base interactions energy: -1393.634
where: short stacking energy: -559.668
Base-Backbone interact. energy: -4.811
local terms energy: -561.269737
where:
bonds (distance) C4'-P energy: -95.686
bonds (distance) P-C4' energy: -101.831
flat angles C4'-P-C4' energy: -126.375
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -151.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1872.972246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.972246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.972246 (E_RNA)
where:
Base-Base interactions energy: -1309.365
where: short stacking energy: -550.838
Base-Backbone interact. energy: -4.461
local terms energy: -559.146086
where:
bonds (distance) C4'-P energy: -94.596
bonds (distance) P-C4' energy: -112.111
flat angles C4'-P-C4' energy: -126.373
flat angles P-C4'-P energy: -78.434
tors. eta vs tors. theta energy: -147.631
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: 387
Temperature: 1.000000
Total energy: -1762.144482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.144482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.144482 (E_RNA)
where:
Base-Base interactions energy: -1220.198
where: short stacking energy: -513.162
Base-Backbone interact. energy: -2.182
local terms energy: -539.764509
where:
bonds (distance) C4'-P energy: -91.762
bonds (distance) P-C4' energy: -105.407
flat angles C4'-P-C4' energy: -120.140
flat angles P-C4'-P energy: -83.630
tors. eta vs tors. theta energy: -138.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1713.411758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.411758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.411758 (E_RNA)
where:
Base-Base interactions energy: -1220.472
where: short stacking energy: -515.167
Base-Backbone interact. energy: -1.577
local terms energy: -491.363117
where:
bonds (distance) C4'-P energy: -96.179
bonds (distance) P-C4' energy: -89.006
flat angles C4'-P-C4' energy: -116.582
flat angles P-C4'-P energy: -63.009
tors. eta vs tors. theta energy: -126.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1656.493542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.493542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.493542 (E_RNA)
where:
Base-Base interactions energy: -1158.669
where: short stacking energy: -450.754
Base-Backbone interact. energy: -1.268
local terms energy: -496.556217
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -107.593
flat angles C4'-P-C4' energy: -108.298
flat angles P-C4'-P energy: -69.927
tors. eta vs tors. theta energy: -113.670
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: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1476.609015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.609015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.609015 (E_RNA)
where:
Base-Base interactions energy: -1028.811
where: short stacking energy: -428.375
Base-Backbone interact. energy: -4.315
local terms energy: -443.483059
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -90.781
flat angles C4'-P-C4' energy: -98.544
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1399.649137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.649137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.649137 (E_RNA)
where:
Base-Base interactions energy: -972.866
where: short stacking energy: -412.019
Base-Backbone interact. energy: -0.672
local terms energy: -426.111525
where:
bonds (distance) C4'-P energy: -92.761
bonds (distance) P-C4' energy: -78.505
flat angles C4'-P-C4' energy: -95.146
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -100.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1293.503813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.503813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.503813 (E_RNA)
where:
Base-Base interactions energy: -866.380
where: short stacking energy: -359.199
Base-Backbone interact. energy: -1.602
local terms energy: -425.522210
where:
bonds (distance) C4'-P energy: -98.070
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -52.885
tors. eta vs tors. theta energy: -76.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -983.373359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.373359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.373359 (E_RNA)
where:
Base-Base interactions energy: -628.988
where: short stacking energy: -296.659
Base-Backbone interact. energy: -1.382
local terms energy: -353.002726
where:
bonds (distance) C4'-P energy: -94.283
bonds (distance) P-C4' energy: -97.150
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -36.913
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -912.861370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.861370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.861370 (E_RNA)
where:
Base-Base interactions energy: -559.613
where: short stacking energy: -273.871
Base-Backbone interact. energy: 0.452
local terms energy: -353.700966
where:
bonds (distance) C4'-P energy: -98.103
bonds (distance) P-C4' energy: -73.519
flat angles C4'-P-C4' energy: -91.379
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -49.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1959.091201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.091201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.091201 (E_RNA)
where:
Base-Base interactions energy: -1401.107
where: short stacking energy: -565.932
Base-Backbone interact. energy: -2.114
local terms energy: -555.869446
where:
bonds (distance) C4'-P energy: -99.209
bonds (distance) P-C4' energy: -110.687
flat angles C4'-P-C4' energy: -121.517
flat angles P-C4'-P energy: -68.357
tors. eta vs tors. theta energy: -156.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1859.635615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.635615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.635615 (E_RNA)
where:
Base-Base interactions energy: -1317.642
where: short stacking energy: -538.407
Base-Backbone interact. energy: -1.976
local terms energy: -540.016922
where:
bonds (distance) C4'-P energy: -82.120
bonds (distance) P-C4' energy: -106.732
flat angles C4'-P-C4' energy: -123.295
flat angles P-C4'-P energy: -81.987
tors. eta vs tors. theta energy: -145.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1792.718852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.718852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.718852 (E_RNA)
where:
Base-Base interactions energy: -1257.271
where: short stacking energy: -519.223
Base-Backbone interact. energy: -2.477
local terms energy: -532.970470
where:
bonds (distance) C4'-P energy: -105.218
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -126.626
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -127.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1750.395607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.395607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.395607 (E_RNA)
where:
Base-Base interactions energy: -1229.379
where: short stacking energy: -507.365
Base-Backbone interact. energy: -0.622
local terms energy: -520.395254
where:
bonds (distance) C4'-P energy: -99.102
bonds (distance) P-C4' energy: -98.524
flat angles C4'-P-C4' energy: -116.415
flat angles P-C4'-P energy: -72.005
tors. eta vs tors. theta energy: -134.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1664.754676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.754676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.754676 (E_RNA)
where:
Base-Base interactions energy: -1165.084
where: short stacking energy: -480.422
Base-Backbone interact. energy: 2.248
local terms energy: -501.918743
where:
bonds (distance) C4'-P energy: -98.142
bonds (distance) P-C4' energy: -96.795
flat angles C4'-P-C4' energy: -113.984
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -116.702
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: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1485.914807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.914807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.914807 (E_RNA)
where:
Base-Base interactions energy: -1029.644
where: short stacking energy: -412.675
Base-Backbone interact. energy: -4.300
local terms energy: -451.970748
where:
bonds (distance) C4'-P energy: -96.688
bonds (distance) P-C4' energy: -97.416
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -63.404
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1406.614901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.614901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.614901 (E_RNA)
where:
Base-Base interactions energy: -952.028
where: short stacking energy: -419.714
Base-Backbone interact. energy: -0.831
local terms energy: -453.755094
where:
bonds (distance) C4'-P energy: -104.060
bonds (distance) P-C4' energy: -81.720
flat angles C4'-P-C4' energy: -95.483
flat angles P-C4'-P energy: -57.483
tors. eta vs tors. theta energy: -115.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1279.557877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.557877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.557877 (E_RNA)
where:
Base-Base interactions energy: -884.619
where: short stacking energy: -402.759
Base-Backbone interact. energy: 3.493
local terms energy: -398.432374
where:
bonds (distance) C4'-P energy: -80.213
bonds (distance) P-C4' energy: -76.990
flat angles C4'-P-C4' energy: -96.946
flat angles P-C4'-P energy: -55.721
tors. eta vs tors. theta energy: -88.562
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: 388
Temperature: 1.300000
Total energy: -1002.533272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.533272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.533272 (E_RNA)
where:
Base-Base interactions energy: -658.639
where: short stacking energy: -290.810
Base-Backbone interact. energy: 1.500
local terms energy: -345.394787
where:
bonds (distance) C4'-P energy: -88.648
bonds (distance) P-C4' energy: -80.459
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -57.228
tors. eta vs tors. theta energy: -39.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -865.163045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.163045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.163045 (E_RNA)
where:
Base-Base interactions energy: -522.651
where: short stacking energy: -263.808
Base-Backbone interact. energy: -0.385
local terms energy: -342.126911
where:
bonds (distance) C4'-P energy: -93.219
bonds (distance) P-C4' energy: -80.848
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -62.276
tors. eta vs tors. theta energy: -31.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1958.639865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.639865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.639865 (E_RNA)
where:
Base-Base interactions energy: -1380.616
where: short stacking energy: -562.462
Base-Backbone interact. energy: 0.756
local terms energy: -578.780214
where:
bonds (distance) C4'-P energy: -106.982
bonds (distance) P-C4' energy: -106.821
flat angles C4'-P-C4' energy: -119.239
flat angles P-C4'-P energy: -82.022
tors. eta vs tors. theta energy: -163.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1894.295855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.295855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.295855 (E_RNA)
where:
Base-Base interactions energy: -1323.669
where: short stacking energy: -537.966
Base-Backbone interact. energy: -3.874
local terms energy: -566.753296
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -109.716
flat angles C4'-P-C4' energy: -118.191
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -145.074
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: 389
Temperature: 1.000000
Total energy: -1758.376741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.376741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.376741 (E_RNA)
where:
Base-Base interactions energy: -1222.010
where: short stacking energy: -485.374
Base-Backbone interact. energy: -3.562
local terms energy: -532.804529
where:
bonds (distance) C4'-P energy: -105.809
bonds (distance) P-C4' energy: -95.494
flat angles C4'-P-C4' energy: -117.155
flat angles P-C4'-P energy: -86.510
tors. eta vs tors. theta energy: -127.835
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: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1717.371850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.371850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.371850 (E_RNA)
where:
Base-Base interactions energy: -1202.231
where: short stacking energy: -490.433
Base-Backbone interact. energy: 0.355
local terms energy: -515.495651
where:
bonds (distance) C4'-P energy: -100.221
bonds (distance) P-C4' energy: -90.568
flat angles C4'-P-C4' energy: -117.225
flat angles P-C4'-P energy: -76.259
tors. eta vs tors. theta energy: -131.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1653.386327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.386327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.386327 (E_RNA)
where:
Base-Base interactions energy: -1159.240
where: short stacking energy: -470.319
Base-Backbone interact. energy: 2.719
local terms energy: -496.865700
where:
bonds (distance) C4'-P energy: -90.982
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -110.896
flat angles P-C4'-P energy: -76.953
tors. eta vs tors. theta energy: -115.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1415.170666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.170666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.170666 (E_RNA)
where:
Base-Base interactions energy: -989.622
where: short stacking energy: -422.236
Base-Backbone interact. energy: -1.071
local terms energy: -424.477582
where:
bonds (distance) C4'-P energy: -87.168
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -62.925
tors. eta vs tors. theta energy: -94.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1414.184076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.184076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.184076 (E_RNA)
where:
Base-Base interactions energy: -991.332
where: short stacking energy: -421.398
Base-Backbone interact. energy: 1.120
local terms energy: -423.971175
where:
bonds (distance) C4'-P energy: -88.258
bonds (distance) P-C4' energy: -88.911
flat angles C4'-P-C4' energy: -96.190
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: -89.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1184.425420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.425420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.425420 (E_RNA)
where:
Base-Base interactions energy: -787.509
where: short stacking energy: -358.424
Base-Backbone interact. energy: 0.492
local terms energy: -397.409014
where:
bonds (distance) C4'-P energy: -81.566
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -93.455
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -71.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -986.864571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.864571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.864571 (E_RNA)
where:
Base-Base interactions energy: -614.291
where: short stacking energy: -278.643
Base-Backbone interact. energy: -0.009
local terms energy: -372.563819
where:
bonds (distance) C4'-P energy: -90.421
bonds (distance) P-C4' energy: -95.393
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -43.883
tors. eta vs tors. theta energy: -41.602
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: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -814.997553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.997553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.997553 (E_RNA)
where:
Base-Base interactions energy: -499.156
where: short stacking energy: -247.642
Base-Backbone interact. energy: -0.055
local terms energy: -315.786397
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -86.515
flat angles C4'-P-C4' energy: -72.496
flat angles P-C4'-P energy: -60.345
tors. eta vs tors. theta energy: -30.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1935.375118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.375118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.375118 (E_RNA)
where:
Base-Base interactions energy: -1384.139
where: short stacking energy: -563.161
Base-Backbone interact. energy: -3.106
local terms energy: -548.129654
where:
bonds (distance) C4'-P energy: -104.021
bonds (distance) P-C4' energy: -108.369
flat angles C4'-P-C4' energy: -118.974
flat angles P-C4'-P energy: -73.562
tors. eta vs tors. theta energy: -143.204
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: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1858.876447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.876447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.876447 (E_RNA)
where:
Base-Base interactions energy: -1324.727
where: short stacking energy: -536.741
Base-Backbone interact. energy: -1.348
local terms energy: -532.801730
where:
bonds (distance) C4'-P energy: -93.416
bonds (distance) P-C4' energy: -97.860
flat angles C4'-P-C4' energy: -117.017
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -140.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1783.275788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.275788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.275788 (E_RNA)
where:
Base-Base interactions energy: -1254.250
where: short stacking energy: -527.039
Base-Backbone interact. energy: -2.332
local terms energy: -526.693749
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -104.040
flat angles C4'-P-C4' energy: -118.699
flat angles P-C4'-P energy: -77.543
tors. eta vs tors. theta energy: -133.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1726.230258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.230258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.230258 (E_RNA)
where:
Base-Base interactions energy: -1195.992
where: short stacking energy: -511.795
Base-Backbone interact. energy: -2.707
local terms energy: -527.531573
where:
bonds (distance) C4'-P energy: -88.078
bonds (distance) P-C4' energy: -117.005
flat angles C4'-P-C4' energy: -109.322
flat angles P-C4'-P energy: -79.011
tors. eta vs tors. theta energy: -134.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1637.097654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.097654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.097654 (E_RNA)
where:
Base-Base interactions energy: -1161.178
where: short stacking energy: -475.583
Base-Backbone interact. energy: 1.329
local terms energy: -477.248662
where:
bonds (distance) C4'-P energy: -91.747
bonds (distance) P-C4' energy: -97.471
flat angles C4'-P-C4' energy: -99.256
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -130.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1439.071302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.071302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.071302 (E_RNA)
where:
Base-Base interactions energy: -975.860
where: short stacking energy: -397.460
Base-Backbone interact. energy: -3.640
local terms energy: -459.571069
where:
bonds (distance) C4'-P energy: -94.949
bonds (distance) P-C4' energy: -106.522
flat angles C4'-P-C4' energy: -91.449
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -98.908
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1449.998093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.998093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.998093 (E_RNA)
where:
Base-Base interactions energy: -993.286
where: short stacking energy: -444.851
Base-Backbone interact. energy: 0.141
local terms energy: -456.853052
where:
bonds (distance) C4'-P energy: -83.175
bonds (distance) P-C4' energy: -99.621
flat angles C4'-P-C4' energy: -101.728
flat angles P-C4'-P energy: -73.826
tors. eta vs tors. theta energy: -98.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1180.484838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.484838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.484838 (E_RNA)
where:
Base-Base interactions energy: -775.425
where: short stacking energy: -358.078
Base-Backbone interact. energy: -2.406
local terms energy: -402.654427
where:
bonds (distance) C4'-P energy: -91.957
bonds (distance) P-C4' energy: -79.669
flat angles C4'-P-C4' energy: -93.786
flat angles P-C4'-P energy: -55.317
tors. eta vs tors. theta energy: -81.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -973.364610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.364610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.364610 (E_RNA)
where:
Base-Base interactions energy: -608.175
where: short stacking energy: -267.910
Base-Backbone interact. energy: -2.270
local terms energy: -362.919636
where:
bonds (distance) C4'-P energy: -82.256
bonds (distance) P-C4' energy: -90.046
flat angles C4'-P-C4' energy: -88.180
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -807.766410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.766410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.766410 (E_RNA)
where:
Base-Base interactions energy: -477.672
where: short stacking energy: -235.654
Base-Backbone interact. energy: 0.507
local terms energy: -330.601329
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -94.982
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1962.139962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.139962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.139962 (E_RNA)
where:
Base-Base interactions energy: -1393.762
where: short stacking energy: -563.501
Base-Backbone interact. energy: -3.406
local terms energy: -564.971855
where:
bonds (distance) C4'-P energy: -103.776
bonds (distance) P-C4' energy: -109.831
flat angles C4'-P-C4' energy: -114.832
flat angles P-C4'-P energy: -88.156
tors. eta vs tors. theta energy: -148.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1835.193686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.193686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.193686 (E_RNA)
where:
Base-Base interactions energy: -1289.489
where: short stacking energy: -514.599
Base-Backbone interact. energy: -2.857
local terms energy: -542.848345
where:
bonds (distance) C4'-P energy: -102.837
bonds (distance) P-C4' energy: -113.423
flat angles C4'-P-C4' energy: -110.294
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -141.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1770.523882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.523882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.523882 (E_RNA)
where:
Base-Base interactions energy: -1232.153
where: short stacking energy: -510.083
Base-Backbone interact. energy: -0.302
local terms energy: -538.068778
where:
bonds (distance) C4'-P energy: -101.267
bonds (distance) P-C4' energy: -114.689
flat angles C4'-P-C4' energy: -110.170
flat angles P-C4'-P energy: -75.947
tors. eta vs tors. theta energy: -135.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1750.798049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.798049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.798049 (E_RNA)
where:
Base-Base interactions energy: -1237.274
where: short stacking energy: -524.587
Base-Backbone interact. energy: 0.334
local terms energy: -513.858603
where:
bonds (distance) C4'-P energy: -82.546
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -116.966
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -136.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1616.625996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.625996 (E_RNA)
where:
Base-Base interactions energy: -1151.613
where: short stacking energy: -455.887
Base-Backbone interact. energy: -1.577
local terms energy: -463.435960
where:
bonds (distance) C4'-P energy: -83.328
bonds (distance) P-C4' energy: -92.357
flat angles C4'-P-C4' energy: -114.087
flat angles P-C4'-P energy: -65.015
tors. eta vs tors. theta energy: -108.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1441.667382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.667382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.667382 (E_RNA)
where:
Base-Base interactions energy: -990.476
where: short stacking energy: -427.274
Base-Backbone interact. energy: -0.652
local terms energy: -450.540010
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -92.452
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -72.524
tors. eta vs tors. theta energy: -94.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1414.856736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.856736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.856736 (E_RNA)
where:
Base-Base interactions energy: -994.347
where: short stacking energy: -428.506
Base-Backbone interact. energy: 4.173
local terms energy: -424.683186
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -83.938
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -86.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1244.518595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.518595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.518595 (E_RNA)
where:
Base-Base interactions energy: -828.608
where: short stacking energy: -369.187
Base-Backbone interact. energy: -0.898
local terms energy: -415.012289
where:
bonds (distance) C4'-P energy: -73.401
bonds (distance) P-C4' energy: -92.962
flat angles C4'-P-C4' energy: -103.338
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -88.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -969.060929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.060929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.060929 (E_RNA)
where:
Base-Base interactions energy: -646.601
where: short stacking energy: -311.998
Base-Backbone interact. energy: 4.513
local terms energy: -326.972982
where:
bonds (distance) C4'-P energy: -83.906
bonds (distance) P-C4' energy: -60.983
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -47.573
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: 391
Temperature: 1.350000
Total energy: -815.402721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.402721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.402721 (E_RNA)
where:
Base-Base interactions energy: -502.748
where: short stacking energy: -224.477
Base-Backbone interact. energy: 0.396
local terms energy: -313.050286
where:
bonds (distance) C4'-P energy: -91.082
bonds (distance) P-C4' energy: -81.655
flat angles C4'-P-C4' energy: -73.107
flat angles P-C4'-P energy: -45.868
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: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1962.964950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.964950 (E_RNA)
where:
Base-Base interactions energy: -1392.915
where: short stacking energy: -540.529
Base-Backbone interact. energy: -2.512
local terms energy: -567.538415
where:
bonds (distance) C4'-P energy: -114.080
bonds (distance) P-C4' energy: -97.225
flat angles C4'-P-C4' energy: -122.504
flat angles P-C4'-P energy: -81.962
tors. eta vs tors. theta energy: -151.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1857.134462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.134462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.134462 (E_RNA)
where:
Base-Base interactions energy: -1306.193
where: short stacking energy: -552.415
Base-Backbone interact. energy: 0.205
local terms energy: -551.145684
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -100.100
flat angles C4'-P-C4' energy: -116.823
flat angles P-C4'-P energy: -83.840
tors. eta vs tors. theta energy: -148.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1768.344200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.344200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.344200 (E_RNA)
where:
Base-Base interactions energy: -1234.132
where: short stacking energy: -508.581
Base-Backbone interact. energy: -2.084
local terms energy: -532.128143
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -101.781
flat angles C4'-P-C4' energy: -109.641
flat angles P-C4'-P energy: -88.643
tors. eta vs tors. theta energy: -134.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1764.081560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.081560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.081560 (E_RNA)
where:
Base-Base interactions energy: -1224.425
where: short stacking energy: -509.730
Base-Backbone interact. energy: -3.991
local terms energy: -535.665815
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -103.789
flat angles C4'-P-C4' energy: -106.077
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -139.878
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1626.803657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.803657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.803657 (E_RNA)
where:
Base-Base interactions energy: -1156.830
where: short stacking energy: -478.735
Base-Backbone interact. energy: 0.686
local terms energy: -470.659374
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -97.051
flat angles C4'-P-C4' energy: -120.579
flat angles P-C4'-P energy: -66.868
tors. eta vs tors. theta energy: -110.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1448.318067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.318067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.318067 (E_RNA)
where:
Base-Base interactions energy: -968.200
where: short stacking energy: -420.814
Base-Backbone interact. energy: -1.738
local terms energy: -478.380895
where:
bonds (distance) C4'-P energy: -93.371
bonds (distance) P-C4' energy: -103.120
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -66.933
tors. eta vs tors. theta energy: -104.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1458.753232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.753232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.753232 (E_RNA)
where:
Base-Base interactions energy: -1009.487
where: short stacking energy: -422.290
Base-Backbone interact. energy: -3.761
local terms energy: -445.505435
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -95.287
flat angles C4'-P-C4' energy: -109.022
flat angles P-C4'-P energy: -62.739
tors. eta vs tors. theta energy: -96.092
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: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1238.091525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.091525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.091525 (E_RNA)
where:
Base-Base interactions energy: -813.342
where: short stacking energy: -369.916
Base-Backbone interact. energy: -1.831
local terms energy: -422.918550
where:
bonds (distance) C4'-P energy: -86.298
bonds (distance) P-C4' energy: -91.578
flat angles C4'-P-C4' energy: -99.162
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -81.271
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: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -985.945442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.945442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.945442 (E_RNA)
where:
Base-Base interactions energy: -619.765
where: short stacking energy: -287.788
Base-Backbone interact. energy: -2.542
local terms energy: -363.638428
where:
bonds (distance) C4'-P energy: -87.740
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -89.861
flat angles P-C4'-P energy: -51.870
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: 392
Temperature: 1.350000
Total energy: -866.927856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.927856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.927856 (E_RNA)
where:
Base-Base interactions energy: -539.400
where: short stacking energy: -247.457
Base-Backbone interact. energy: 0.965
local terms energy: -328.492724
where:
bonds (distance) C4'-P energy: -66.509
bonds (distance) P-C4' energy: -98.184
flat angles C4'-P-C4' energy: -74.614
flat angles P-C4'-P energy: -61.162
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1940.584747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.584747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.584747 (E_RNA)
where:
Base-Base interactions energy: -1369.287
where: short stacking energy: -554.125
Base-Backbone interact. energy: -2.111
local terms energy: -569.186253
where:
bonds (distance) C4'-P energy: -106.780
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -126.036
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: -142.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1885.848522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.848522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.848522 (E_RNA)
where:
Base-Base interactions energy: -1310.237
where: short stacking energy: -552.070
Base-Backbone interact. energy: -0.623
local terms energy: -574.988830
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -109.331
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -94.593
tors. eta vs tors. theta energy: -144.270
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: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1794.357321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.357321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.357321 (E_RNA)
where:
Base-Base interactions energy: -1250.922
where: short stacking energy: -524.003
Base-Backbone interact. energy: -1.468
local terms energy: -541.966861
where:
bonds (distance) C4'-P energy: -100.383
bonds (distance) P-C4' energy: -107.684
flat angles C4'-P-C4' energy: -116.582
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -140.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1769.277632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.277632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.277632 (E_RNA)
where:
Base-Base interactions energy: -1234.390
where: short stacking energy: -500.303
Base-Backbone interact. energy: -1.244
local terms energy: -533.643962
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -108.855
flat angles P-C4'-P energy: -89.048
tors. eta vs tors. theta energy: -136.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1675.992829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.992829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.992829 (E_RNA)
where:
Base-Base interactions energy: -1181.493
where: short stacking energy: -488.816
Base-Backbone interact. energy: -2.094
local terms energy: -492.405881
where:
bonds (distance) C4'-P energy: -86.708
bonds (distance) P-C4' energy: -104.320
flat angles C4'-P-C4' energy: -105.588
flat angles P-C4'-P energy: -81.560
tors. eta vs tors. theta energy: -114.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1474.907560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.907560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.907560 (E_RNA)
where:
Base-Base interactions energy: -1013.548
where: short stacking energy: -443.219
Base-Backbone interact. energy: 0.124
local terms energy: -461.484287
where:
bonds (distance) C4'-P energy: -88.589
bonds (distance) P-C4' energy: -100.193
flat angles C4'-P-C4' energy: -102.744
flat angles P-C4'-P energy: -70.322
tors. eta vs tors. theta energy: -99.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1348.886552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.886552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.886552 (E_RNA)
where:
Base-Base interactions energy: -927.408
where: short stacking energy: -380.498
Base-Backbone interact. energy: -2.538
local terms energy: -418.940607
where:
bonds (distance) C4'-P energy: -79.606
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -101.832
flat angles P-C4'-P energy: -61.001
tors. eta vs tors. theta energy: -94.961
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: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1254.665305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.665305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.665305 (E_RNA)
where:
Base-Base interactions energy: -842.830
where: short stacking energy: -366.341
Base-Backbone interact. energy: -1.908
local terms energy: -409.927874
where:
bonds (distance) C4'-P energy: -81.068
bonds (distance) P-C4' energy: -89.985
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -56.260
tors. eta vs tors. theta energy: -88.775
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: 393
Temperature: 1.300000
Total energy: -1038.841725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.841725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.841725 (E_RNA)
where:
Base-Base interactions energy: -671.203
where: short stacking energy: -283.696
Base-Backbone interact. energy: 0.300
local terms energy: -367.938693
where:
bonds (distance) C4'-P energy: -89.118
bonds (distance) P-C4' energy: -94.595
flat angles C4'-P-C4' energy: -78.741
flat angles P-C4'-P energy: -52.075
tors. eta vs tors. theta energy: -53.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -891.637824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.637824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.637824 (E_RNA)
where:
Base-Base interactions energy: -567.174
where: short stacking energy: -247.285
Base-Backbone interact. energy: 4.813
local terms energy: -329.277064
where:
bonds (distance) C4'-P energy: -81.725
bonds (distance) P-C4' energy: -88.706
flat angles C4'-P-C4' energy: -73.130
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1976.808737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.808737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.808737 (E_RNA)
where:
Base-Base interactions energy: -1383.024
where: short stacking energy: -569.254
Base-Backbone interact. energy: -5.158
local terms energy: -588.626739
where:
bonds (distance) C4'-P energy: -114.451
bonds (distance) P-C4' energy: -111.298
flat angles C4'-P-C4' energy: -122.080
flat angles P-C4'-P energy: -83.268
tors. eta vs tors. theta energy: -157.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1857.272356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.272356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.272356 (E_RNA)
where:
Base-Base interactions energy: -1310.488
where: short stacking energy: -526.343
Base-Backbone interact. energy: -4.629
local terms energy: -542.156241
where:
bonds (distance) C4'-P energy: -92.009
bonds (distance) P-C4' energy: -116.598
flat angles C4'-P-C4' energy: -115.604
flat angles P-C4'-P energy: -76.905
tors. eta vs tors. theta energy: -141.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1788.482467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.482467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.482467 (E_RNA)
where:
Base-Base interactions energy: -1266.233
where: short stacking energy: -519.062
Base-Backbone interact. energy: 0.853
local terms energy: -523.102951
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -86.724
flat angles C4'-P-C4' energy: -118.442
flat angles P-C4'-P energy: -74.076
tors. eta vs tors. theta energy: -140.447
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1742.040649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.040649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.040649 (E_RNA)
where:
Base-Base interactions energy: -1243.221
where: short stacking energy: -523.129
Base-Backbone interact. energy: -3.847
local terms energy: -494.972426
where:
bonds (distance) C4'-P energy: -92.254
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -109.925
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -118.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1657.183393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.183393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.183393 (E_RNA)
where:
Base-Base interactions energy: -1171.814
where: short stacking energy: -490.441
Base-Backbone interact. energy: -1.046
local terms energy: -484.323190
where:
bonds (distance) C4'-P energy: -88.615
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -111.372
flat angles P-C4'-P energy: -73.434
tors. eta vs tors. theta energy: -118.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1472.071400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.071400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.071400 (E_RNA)
where:
Base-Base interactions energy: -1003.501
where: short stacking energy: -415.641
Base-Backbone interact. energy: -1.303
local terms energy: -467.267433
where:
bonds (distance) C4'-P energy: -88.745
bonds (distance) P-C4' energy: -92.686
flat angles C4'-P-C4' energy: -113.371
flat angles P-C4'-P energy: -70.582
tors. eta vs tors. theta energy: -101.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1348.733093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.733093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.733093 (E_RNA)
where:
Base-Base interactions energy: -917.104
where: short stacking energy: -391.337
Base-Backbone interact. energy: -0.211
local terms energy: -431.418050
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -94.808
flat angles C4'-P-C4' energy: -91.005
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1268.707538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.707538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.707538 (E_RNA)
where:
Base-Base interactions energy: -839.056
where: short stacking energy: -368.868
Base-Backbone interact. energy: -3.038
local terms energy: -426.613844
where:
bonds (distance) C4'-P energy: -80.014
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -93.658
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: 394
Temperature: 1.300000
Total energy: -988.401276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.401276 (E_RNA)
where:
Base-Base interactions energy: -636.227
where: short stacking energy: -303.773
Base-Backbone interact. energy: -2.888
local terms energy: -349.286222
where:
bonds (distance) C4'-P energy: -77.041
bonds (distance) P-C4' energy: -90.375
flat angles C4'-P-C4' energy: -97.378
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -41.779
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: 394
Temperature: 1.350000
Total energy: -885.742550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.742550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.742550 (E_RNA)
where:
Base-Base interactions energy: -534.963
where: short stacking energy: -254.531
Base-Backbone interact. energy: 1.377
local terms energy: -352.156351
where:
bonds (distance) C4'-P energy: -86.453
bonds (distance) P-C4' energy: -94.784
flat angles C4'-P-C4' energy: -83.407
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -26.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1961.492797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.492797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.492797 (E_RNA)
where:
Base-Base interactions energy: -1390.723
where: short stacking energy: -542.303
Base-Backbone interact. energy: -1.665
local terms energy: -569.104468
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -108.562
flat angles C4'-P-C4' energy: -122.590
flat angles P-C4'-P energy: -91.033
tors. eta vs tors. theta energy: -147.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1875.946513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.946513 (E_RNA)
where:
Base-Base interactions energy: -1334.030
where: short stacking energy: -552.229
Base-Backbone interact. energy: -4.325
local terms energy: -537.591354
where:
bonds (distance) C4'-P energy: -94.801
bonds (distance) P-C4' energy: -104.876
flat angles C4'-P-C4' energy: -118.979
flat angles P-C4'-P energy: -70.057
tors. eta vs tors. theta energy: -148.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1793.260416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.260416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.260416 (E_RNA)
where:
Base-Base interactions energy: -1259.684
where: short stacking energy: -525.142
Base-Backbone interact. energy: -0.883
local terms energy: -532.693790
where:
bonds (distance) C4'-P energy: -98.652
bonds (distance) P-C4' energy: -104.700
flat angles C4'-P-C4' energy: -111.858
flat angles P-C4'-P energy: -83.680
tors. eta vs tors. theta energy: -133.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1732.347567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.347567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.347567 (E_RNA)
where:
Base-Base interactions energy: -1224.064
where: short stacking energy: -514.036
Base-Backbone interact. energy: -3.329
local terms energy: -504.954317
where:
bonds (distance) C4'-P energy: -102.649
bonds (distance) P-C4' energy: -99.705
flat angles C4'-P-C4' energy: -111.839
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: -128.151
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1642.210669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.210669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.210669 (E_RNA)
where:
Base-Base interactions energy: -1145.737
where: short stacking energy: -469.237
Base-Backbone interact. energy: -2.153
local terms energy: -494.320551
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -100.183
flat angles C4'-P-C4' energy: -108.472
flat angles P-C4'-P energy: -66.553
tors. eta vs tors. theta energy: -121.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1474.262826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.262826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.262826 (E_RNA)
where:
Base-Base interactions energy: -996.333
where: short stacking energy: -418.766
Base-Backbone interact. energy: -2.036
local terms energy: -475.893943
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -104.587
flat angles C4'-P-C4' energy: -115.827
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -91.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1322.809124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.809124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.809124 (E_RNA)
where:
Base-Base interactions energy: -892.672
where: short stacking energy: -375.112
Base-Backbone interact. energy: -3.653
local terms energy: -426.484413
where:
bonds (distance) C4'-P energy: -82.008
bonds (distance) P-C4' energy: -89.241
flat angles C4'-P-C4' energy: -97.614
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -95.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1285.110191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.110191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.110191 (E_RNA)
where:
Base-Base interactions energy: -889.865
where: short stacking energy: -382.148
Base-Backbone interact. energy: 2.786
local terms energy: -398.031601
where:
bonds (distance) C4'-P energy: -83.917
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -66.415
tors. eta vs tors. theta energy: -78.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1015.074966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.074966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.074966 (E_RNA)
where:
Base-Base interactions energy: -656.305
where: short stacking energy: -277.616
Base-Backbone interact. energy: 4.741
local terms energy: -363.510491
where:
bonds (distance) C4'-P energy: -72.817
bonds (distance) P-C4' energy: -90.505
flat angles C4'-P-C4' energy: -85.615
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -70.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -848.191667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.191667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.191667 (E_RNA)
where:
Base-Base interactions energy: -514.570
where: short stacking energy: -257.889
Base-Backbone interact. energy: 2.397
local terms energy: -336.019243
where:
bonds (distance) C4'-P energy: -83.840
bonds (distance) P-C4' energy: -80.533
flat angles C4'-P-C4' energy: -91.216
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1947.516482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.516482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.516482 (E_RNA)
where:
Base-Base interactions energy: -1380.941
where: short stacking energy: -558.670
Base-Backbone interact. energy: -2.601
local terms energy: -563.974698
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -107.346
flat angles C4'-P-C4' energy: -113.076
flat angles P-C4'-P energy: -90.950
tors. eta vs tors. theta energy: -149.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1892.123150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.123150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.123150 (E_RNA)
where:
Base-Base interactions energy: -1347.645
where: short stacking energy: -547.635
Base-Backbone interact. energy: -3.295
local terms energy: -541.183133
where:
bonds (distance) C4'-P energy: -86.474
bonds (distance) P-C4' energy: -95.295
flat angles C4'-P-C4' energy: -116.181
flat angles P-C4'-P energy: -90.966
tors. eta vs tors. theta energy: -152.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1764.601956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.601956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.601956 (E_RNA)
where:
Base-Base interactions energy: -1233.273
where: short stacking energy: -519.977
Base-Backbone interact. energy: -3.810
local terms energy: -527.518361
where:
bonds (distance) C4'-P energy: -98.508
bonds (distance) P-C4' energy: -98.933
flat angles C4'-P-C4' energy: -114.633
flat angles P-C4'-P energy: -78.942
tors. eta vs tors. theta energy: -136.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1739.725277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.725277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.725277 (E_RNA)
where:
Base-Base interactions energy: -1220.767
where: short stacking energy: -499.521
Base-Backbone interact. energy: -4.211
local terms energy: -514.747187
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -111.049
flat angles C4'-P-C4' energy: -113.353
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -131.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1680.455237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.455237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.455237 (E_RNA)
where:
Base-Base interactions energy: -1184.100
where: short stacking energy: -493.783
Base-Backbone interact. energy: -3.566
local terms energy: -492.788344
where:
bonds (distance) C4'-P energy: -89.300
bonds (distance) P-C4' energy: -100.359
flat angles C4'-P-C4' energy: -97.088
flat angles P-C4'-P energy: -70.314
tors. eta vs tors. theta energy: -135.727
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1442.155525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.155525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.155525 (E_RNA)
where:
Base-Base interactions energy: -981.649
where: short stacking energy: -422.374
Base-Backbone interact. energy: 2.860
local terms energy: -463.366197
where:
bonds (distance) C4'-P energy: -97.475
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -93.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1282.502429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.502429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.502429 (E_RNA)
where:
Base-Base interactions energy: -841.885
where: short stacking energy: -381.950
Base-Backbone interact. energy: -0.874
local terms energy: -439.743766
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -97.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1246.470565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.470565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.470565 (E_RNA)
where:
Base-Base interactions energy: -829.669
where: short stacking energy: -358.105
Base-Backbone interact. energy: -0.702
local terms energy: -416.099498
where:
bonds (distance) C4'-P energy: -83.434
bonds (distance) P-C4' energy: -97.310
flat angles C4'-P-C4' energy: -97.874
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -78.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1077.508974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.508974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.508974 (E_RNA)
where:
Base-Base interactions energy: -702.459
where: short stacking energy: -320.291
Base-Backbone interact. energy: -2.876
local terms energy: -372.174281
where:
bonds (distance) C4'-P energy: -73.515
bonds (distance) P-C4' energy: -74.352
flat angles C4'-P-C4' energy: -100.102
flat angles P-C4'-P energy: -50.996
tors. eta vs tors. theta energy: -73.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -870.768161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.768161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.768161 (E_RNA)
where:
Base-Base interactions energy: -521.386
where: short stacking energy: -270.175
Base-Backbone interact. energy: 1.031
local terms energy: -350.413141
where:
bonds (distance) C4'-P energy: -85.955
bonds (distance) P-C4' energy: -98.114
flat angles C4'-P-C4' energy: -79.957
flat angles P-C4'-P energy: -51.664
tors. eta vs tors. theta energy: -34.723
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: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1956.113726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.113726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.113726 (E_RNA)
where:
Base-Base interactions energy: -1380.496
where: short stacking energy: -564.421
Base-Backbone interact. energy: -3.766
local terms energy: -571.851725
where:
bonds (distance) C4'-P energy: -103.791
bonds (distance) P-C4' energy: -105.389
flat angles C4'-P-C4' energy: -119.529
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -153.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1860.916639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.916639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.916639 (E_RNA)
where:
Base-Base interactions energy: -1309.425
where: short stacking energy: -525.718
Base-Backbone interact. energy: -3.428
local terms energy: -548.064145
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -102.474
flat angles C4'-P-C4' energy: -113.562
flat angles P-C4'-P energy: -83.121
tors. eta vs tors. theta energy: -145.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1795.693374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.693374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.693374 (E_RNA)
where:
Base-Base interactions energy: -1256.524
where: short stacking energy: -556.069
Base-Backbone interact. energy: 1.868
local terms energy: -541.036650
where:
bonds (distance) C4'-P energy: -91.878
bonds (distance) P-C4' energy: -108.307
flat angles C4'-P-C4' energy: -101.135
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -161.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1720.796504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.796504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.796504 (E_RNA)
where:
Base-Base interactions energy: -1219.495
where: short stacking energy: -493.304
Base-Backbone interact. energy: -2.030
local terms energy: -499.271546
where:
bonds (distance) C4'-P energy: -87.066
bonds (distance) P-C4' energy: -92.506
flat angles C4'-P-C4' energy: -116.954
flat angles P-C4'-P energy: -77.779
tors. eta vs tors. theta energy: -124.967
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1680.134160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.134160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.134160 (E_RNA)
where:
Base-Base interactions energy: -1199.509
where: short stacking energy: -498.705
Base-Backbone interact. energy: -2.918
local terms energy: -477.707602
where:
bonds (distance) C4'-P energy: -80.342
bonds (distance) P-C4' energy: -97.522
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -66.522
tors. eta vs tors. theta energy: -129.374
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: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1482.384494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.384494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.384494 (E_RNA)
where:
Base-Base interactions energy: -1020.319
where: short stacking energy: -443.487
Base-Backbone interact. energy: -0.255
local terms energy: -461.809667
where:
bonds (distance) C4'-P energy: -89.915
bonds (distance) P-C4' energy: -94.612
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -101.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1286.224507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.224507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.224507 (E_RNA)
where:
Base-Base interactions energy: -874.037
where: short stacking energy: -364.241
Base-Backbone interact. energy: -1.398
local terms energy: -410.788925
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -102.229
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -59.866
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: 397
Temperature: 1.250000
Total energy: -1250.371886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.371886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.371886 (E_RNA)
where:
Base-Base interactions energy: -838.620
where: short stacking energy: -389.833
Base-Backbone interact. energy: -1.898
local terms energy: -409.853861
where:
bonds (distance) C4'-P energy: -82.490
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -89.238
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -87.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1007.401813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.401813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.401813 (E_RNA)
where:
Base-Base interactions energy: -645.534
where: short stacking energy: -279.885
Base-Backbone interact. energy: -2.269
local terms energy: -359.598934
where:
bonds (distance) C4'-P energy: -75.929
bonds (distance) P-C4' energy: -95.274
flat angles C4'-P-C4' energy: -95.196
flat angles P-C4'-P energy: -64.026
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -868.245038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.245038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.245038 (E_RNA)
where:
Base-Base interactions energy: -520.024
where: short stacking energy: -235.694
Base-Backbone interact. energy: -1.545
local terms energy: -346.676255
where:
bonds (distance) C4'-P energy: -96.566
bonds (distance) P-C4' energy: -89.775
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -60.413
tors. eta vs tors. theta energy: -27.509
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: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1969.242584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.242584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.242584 (E_RNA)
where:
Base-Base interactions energy: -1401.517
where: short stacking energy: -537.996
Base-Backbone interact. energy: -1.932
local terms energy: -565.793029
where:
bonds (distance) C4'-P energy: -106.624
bonds (distance) P-C4' energy: -113.381
flat angles C4'-P-C4' energy: -120.732
flat angles P-C4'-P energy: -75.453
tors. eta vs tors. theta energy: -149.603
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1855.719359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.719359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.719359 (E_RNA)
where:
Base-Base interactions energy: -1303.845
where: short stacking energy: -525.178
Base-Backbone interact. energy: -2.864
local terms energy: -549.010188
where:
bonds (distance) C4'-P energy: -105.758
bonds (distance) P-C4' energy: -110.307
flat angles C4'-P-C4' energy: -109.652
flat angles P-C4'-P energy: -84.828
tors. eta vs tors. theta energy: -138.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1801.072894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.072894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.072894 (E_RNA)
where:
Base-Base interactions energy: -1250.333
where: short stacking energy: -519.375
Base-Backbone interact. energy: -2.783
local terms energy: -547.957167
where:
bonds (distance) C4'-P energy: -103.683
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -113.760
flat angles P-C4'-P energy: -78.402
tors. eta vs tors. theta energy: -149.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1759.672174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.672174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.672174 (E_RNA)
where:
Base-Base interactions energy: -1249.358
where: short stacking energy: -519.313
Base-Backbone interact. energy: -2.338
local terms energy: -507.975412
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -87.912
flat angles C4'-P-C4' energy: -112.862
flat angles P-C4'-P energy: -71.664
tors. eta vs tors. theta energy: -145.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1656.230297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.230297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.230297 (E_RNA)
where:
Base-Base interactions energy: -1186.125
where: short stacking energy: -479.810
Base-Backbone interact. energy: -3.405
local terms energy: -466.701082
where:
bonds (distance) C4'-P energy: -82.839
bonds (distance) P-C4' energy: -84.417
flat angles C4'-P-C4' energy: -103.897
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -123.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1507.109370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.109370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.109370 (E_RNA)
where:
Base-Base interactions energy: -1053.817
where: short stacking energy: -445.401
Base-Backbone interact. energy: 0.527
local terms energy: -453.818984
where:
bonds (distance) C4'-P energy: -75.243
bonds (distance) P-C4' energy: -101.212
flat angles C4'-P-C4' energy: -101.372
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -111.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1261.757092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.757092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.757092 (E_RNA)
where:
Base-Base interactions energy: -836.033
where: short stacking energy: -370.612
Base-Backbone interact. energy: 0.307
local terms energy: -426.031251
where:
bonds (distance) C4'-P energy: -82.514
bonds (distance) P-C4' energy: -95.827
flat angles C4'-P-C4' energy: -97.695
flat angles P-C4'-P energy: -69.013
tors. eta vs tors. theta energy: -80.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1247.923114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.923114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.923114 (E_RNA)
where:
Base-Base interactions energy: -856.148
where: short stacking energy: -360.364
Base-Backbone interact. energy: -0.334
local terms energy: -391.440667
where:
bonds (distance) C4'-P energy: -87.981
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -92.540
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -75.941
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: 398
Temperature: 1.300000
Total energy: -1047.294884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.294884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.294884 (E_RNA)
where:
Base-Base interactions energy: -687.576
where: short stacking energy: -319.538
Base-Backbone interact. energy: 0.881
local terms energy: -360.599608
where:
bonds (distance) C4'-P energy: -70.273
bonds (distance) P-C4' energy: -79.779
flat angles C4'-P-C4' energy: -90.570
flat angles P-C4'-P energy: -71.148
tors. eta vs tors. theta energy: -48.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -895.662862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.662862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.662862 (E_RNA)
where:
Base-Base interactions energy: -545.098
where: short stacking energy: -248.891
Base-Backbone interact. energy: -1.301
local terms energy: -349.263556
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -92.330
flat angles C4'-P-C4' energy: -84.969
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -37.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1974.017860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.017860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.017860 (E_RNA)
where:
Base-Base interactions energy: -1396.662
where: short stacking energy: -566.760
Base-Backbone interact. energy: -3.917
local terms energy: -573.438981
where:
bonds (distance) C4'-P energy: -91.057
bonds (distance) P-C4' energy: -116.296
flat angles C4'-P-C4' energy: -127.108
flat angles P-C4'-P energy: -87.367
tors. eta vs tors. theta energy: -151.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1886.474249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.474249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.474249 (E_RNA)
where:
Base-Base interactions energy: -1329.600
where: short stacking energy: -548.741
Base-Backbone interact. energy: 0.379
local terms energy: -557.253109
where:
bonds (distance) C4'-P energy: -89.913
bonds (distance) P-C4' energy: -118.813
flat angles C4'-P-C4' energy: -110.683
flat angles P-C4'-P energy: -77.152
tors. eta vs tors. theta energy: -160.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1786.079051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.079051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.079051 (E_RNA)
where:
Base-Base interactions energy: -1246.973
where: short stacking energy: -515.449
Base-Backbone interact. energy: -2.142
local terms energy: -536.964268
where:
bonds (distance) C4'-P energy: -107.014
bonds (distance) P-C4' energy: -100.202
flat angles C4'-P-C4' energy: -118.380
flat angles P-C4'-P energy: -68.485
tors. eta vs tors. theta energy: -142.883
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: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1746.213565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.213565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.213565 (E_RNA)
where:
Base-Base interactions energy: -1227.097
where: short stacking energy: -488.989
Base-Backbone interact. energy: 0.899
local terms energy: -520.014689
where:
bonds (distance) C4'-P energy: -93.686
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -101.980
flat angles P-C4'-P energy: -77.993
tors. eta vs tors. theta energy: -140.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1662.731677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.731677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.731677 (E_RNA)
where:
Base-Base interactions energy: -1146.054
where: short stacking energy: -473.208
Base-Backbone interact. energy: -5.165
local terms energy: -511.512973
where:
bonds (distance) C4'-P energy: -94.954
bonds (distance) P-C4' energy: -107.810
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -72.429
tors. eta vs tors. theta energy: -120.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1481.279032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.279032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.279032 (E_RNA)
where:
Base-Base interactions energy: -1027.279
where: short stacking energy: -443.841
Base-Backbone interact. energy: 1.256
local terms energy: -455.255754
where:
bonds (distance) C4'-P energy: -81.719
bonds (distance) P-C4' energy: -90.021
flat angles C4'-P-C4' energy: -103.622
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -109.439
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: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1279.531294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.531294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.531294 (E_RNA)
where:
Base-Base interactions energy: -847.281
where: short stacking energy: -368.293
Base-Backbone interact. energy: -2.927
local terms energy: -429.323637
where:
bonds (distance) C4'-P energy: -90.175
bonds (distance) P-C4' energy: -93.465
flat angles C4'-P-C4' energy: -97.213
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -86.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1220.278729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.278729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.278729 (E_RNA)
where:
Base-Base interactions energy: -825.904
where: short stacking energy: -355.856
Base-Backbone interact. energy: 4.283
local terms energy: -398.657119
where:
bonds (distance) C4'-P energy: -91.341
bonds (distance) P-C4' energy: -92.721
flat angles C4'-P-C4' energy: -84.612
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -82.767
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: 399
Temperature: 1.300000
Total energy: -1026.542161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.542161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.542161 (E_RNA)
where:
Base-Base interactions energy: -666.202
where: short stacking energy: -315.195
Base-Backbone interact. energy: -0.043
local terms energy: -360.296978
where:
bonds (distance) C4'-P energy: -73.028
bonds (distance) P-C4' energy: -96.077
flat angles C4'-P-C4' energy: -72.983
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -55.791
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: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -897.191094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.191094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.191094 (E_RNA)
where:
Base-Base interactions energy: -569.399
where: short stacking energy: -264.103
Base-Backbone interact. energy: -0.931
local terms energy: -326.862083
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -93.526
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1972.741435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.741435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.741435 (E_RNA)
where:
Base-Base interactions energy: -1385.790
where: short stacking energy: -562.670
Base-Backbone interact. energy: -5.603
local terms energy: -581.348102
where:
bonds (distance) C4'-P energy: -105.140
bonds (distance) P-C4' energy: -120.412
flat angles C4'-P-C4' energy: -122.254
flat angles P-C4'-P energy: -78.617
tors. eta vs tors. theta energy: -154.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1843.785708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.785708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.785708 (E_RNA)
where:
Base-Base interactions energy: -1311.273
where: short stacking energy: -531.649
Base-Backbone interact. energy: -3.734
local terms energy: -528.778746
where:
bonds (distance) C4'-P energy: -85.470
bonds (distance) P-C4' energy: -108.144
flat angles C4'-P-C4' energy: -115.042
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -138.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1790.356382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.356382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.356382 (E_RNA)
where:
Base-Base interactions energy: -1246.521
where: short stacking energy: -537.420
Base-Backbone interact. energy: -0.175
local terms energy: -543.659717
where:
bonds (distance) C4'-P energy: -94.418
bonds (distance) P-C4' energy: -105.588
flat angles C4'-P-C4' energy: -110.705
flat angles P-C4'-P energy: -87.527
tors. eta vs tors. theta energy: -145.422
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: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1751.883373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.883373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.883373 (E_RNA)
where:
Base-Base interactions energy: -1236.413
where: short stacking energy: -513.261
Base-Backbone interact. energy: -1.709
local terms energy: -513.762248
where:
bonds (distance) C4'-P energy: -94.916
bonds (distance) P-C4' energy: -103.298
flat angles C4'-P-C4' energy: -120.936
flat angles P-C4'-P energy: -61.486
tors. eta vs tors. theta energy: -133.126
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: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1656.835794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.835794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.835794 (E_RNA)
where:
Base-Base interactions energy: -1168.310
where: short stacking energy: -481.919
Base-Backbone interact. energy: -0.941
local terms energy: -487.584927
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -88.120
flat angles C4'-P-C4' energy: -117.549
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -118.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1494.993705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.993705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.993705 (E_RNA)
where:
Base-Base interactions energy: -1029.207
where: short stacking energy: -439.189
Base-Backbone interact. energy: -1.998
local terms energy: -463.789244
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -93.463
flat angles C4'-P-C4' energy: -104.046
flat angles P-C4'-P energy: -83.151
tors. eta vs tors. theta energy: -92.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1356.997647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.997647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.997647 (E_RNA)
where:
Base-Base interactions energy: -894.689
where: short stacking energy: -376.514
Base-Backbone interact. energy: -3.200
local terms energy: -459.108138
where:
bonds (distance) C4'-P energy: -82.061
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -98.218
flat angles P-C4'-P energy: -58.743
tors. eta vs tors. theta energy: -111.270
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: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1190.103861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.103861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.103861 (E_RNA)
where:
Base-Base interactions energy: -818.004
where: short stacking energy: -367.609
Base-Backbone interact. energy: -1.365
local terms energy: -370.735369
where:
bonds (distance) C4'-P energy: -77.316
bonds (distance) P-C4' energy: -87.605
flat angles C4'-P-C4' energy: -96.021
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -68.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1038.132528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.132528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.132528 (E_RNA)
where:
Base-Base interactions energy: -682.984
where: short stacking energy: -295.845
Base-Backbone interact. energy: -3.272
local terms energy: -351.876776
where:
bonds (distance) C4'-P energy: -82.762
bonds (distance) P-C4' energy: -76.002
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -45.567
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: 400
Temperature: 1.350000
Total energy: -866.635945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.635945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.635945 (E_RNA)
where:
Base-Base interactions energy: -532.235
where: short stacking energy: -273.083
Base-Backbone interact. energy: -2.533
local terms energy: -331.867650
where:
bonds (distance) C4'-P energy: -84.403
bonds (distance) P-C4' energy: -70.458
flat angles C4'-P-C4' energy: -85.056
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -40.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1958.953305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.953305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.953305 (E_RNA)
where:
Base-Base interactions energy: -1402.333
where: short stacking energy: -557.935
Base-Backbone interact. energy: 5.880
local terms energy: -562.500706
where:
bonds (distance) C4'-P energy: -101.979
bonds (distance) P-C4' energy: -103.946
flat angles C4'-P-C4' energy: -118.596
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -157.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1857.396093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.396093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.396093 (E_RNA)
where:
Base-Base interactions energy: -1311.212
where: short stacking energy: -526.337
Base-Backbone interact. energy: -2.658
local terms energy: -543.525636
where:
bonds (distance) C4'-P energy: -97.476
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -119.517
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -139.661
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: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1800.165375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.165375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.165375 (E_RNA)
where:
Base-Base interactions energy: -1261.161
where: short stacking energy: -515.820
Base-Backbone interact. energy: -1.089
local terms energy: -537.915435
where:
bonds (distance) C4'-P energy: -105.980
bonds (distance) P-C4' energy: -109.889
flat angles C4'-P-C4' energy: -112.433
flat angles P-C4'-P energy: -71.465
tors. eta vs tors. theta energy: -138.149
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: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1743.648113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.648113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.648113 (E_RNA)
where:
Base-Base interactions energy: -1219.468
where: short stacking energy: -494.667
Base-Backbone interact. energy: -3.383
local terms energy: -520.797198
where:
bonds (distance) C4'-P energy: -110.478
bonds (distance) P-C4' energy: -108.324
flat angles C4'-P-C4' energy: -114.295
flat angles P-C4'-P energy: -66.638
tors. eta vs tors. theta energy: -121.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1628.967985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.967985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.967985 (E_RNA)
where:
Base-Base interactions energy: -1134.828
where: short stacking energy: -480.647
Base-Backbone interact. energy: 0.046
local terms energy: -494.185956
where:
bonds (distance) C4'-P energy: -94.944
bonds (distance) P-C4' energy: -99.066
flat angles C4'-P-C4' energy: -98.563
flat angles P-C4'-P energy: -68.378
tors. eta vs tors. theta energy: -133.235
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: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1462.286276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.286276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.286276 (E_RNA)
where:
Base-Base interactions energy: -1000.729
where: short stacking energy: -415.556
Base-Backbone interact. energy: -0.980
local terms energy: -460.577258
where:
bonds (distance) C4'-P energy: -89.872
bonds (distance) P-C4' energy: -92.870
flat angles C4'-P-C4' energy: -109.112
flat angles P-C4'-P energy: -70.705
tors. eta vs tors. theta energy: -98.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1337.532617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.532617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.532617 (E_RNA)
where:
Base-Base interactions energy: -896.054
where: short stacking energy: -393.698
Base-Backbone interact. energy: 2.464
local terms energy: -443.942988
where:
bonds (distance) C4'-P energy: -85.776
bonds (distance) P-C4' energy: -86.498
flat angles C4'-P-C4' energy: -107.130
flat angles P-C4'-P energy: -78.612
tors. eta vs tors. theta energy: -85.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1230.313051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.313051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.313051 (E_RNA)
where:
Base-Base interactions energy: -844.240
where: short stacking energy: -374.868
Base-Backbone interact. energy: -1.092
local terms energy: -384.981070
where:
bonds (distance) C4'-P energy: -82.516
bonds (distance) P-C4' energy: -84.726
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -57.114
tors. eta vs tors. theta energy: -85.465
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1026.212578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.212578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.212578 (E_RNA)
where:
Base-Base interactions energy: -666.241
where: short stacking energy: -295.498
Base-Backbone interact. energy: -5.286
local terms energy: -354.686115
where:
bonds (distance) C4'-P energy: -94.332
bonds (distance) P-C4' energy: -67.567
flat angles C4'-P-C4' energy: -91.616
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -50.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -858.441915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.441915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.441915 (E_RNA)
where:
Base-Base interactions energy: -513.439
where: short stacking energy: -238.916
Base-Backbone interact. energy: 4.826
local terms energy: -349.828799
where:
bonds (distance) C4'-P energy: -76.525
bonds (distance) P-C4' energy: -91.042
flat angles C4'-P-C4' energy: -94.579
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1964.086638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.086638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.086638 (E_RNA)
where:
Base-Base interactions energy: -1412.538
where: short stacking energy: -557.264
Base-Backbone interact. energy: -2.293
local terms energy: -549.255654
where:
bonds (distance) C4'-P energy: -94.039
bonds (distance) P-C4' energy: -105.055
flat angles C4'-P-C4' energy: -129.476
flat angles P-C4'-P energy: -73.292
tors. eta vs tors. theta energy: -147.395
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: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1872.523280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.523280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.523280 (E_RNA)
where:
Base-Base interactions energy: -1311.286
where: short stacking energy: -524.877
Base-Backbone interact. energy: -1.985
local terms energy: -559.251722
where:
bonds (distance) C4'-P energy: -103.810
bonds (distance) P-C4' energy: -100.933
flat angles C4'-P-C4' energy: -127.900
flat angles P-C4'-P energy: -79.094
tors. eta vs tors. theta energy: -147.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1814.453993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.453993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.453993 (E_RNA)
where:
Base-Base interactions energy: -1268.425
where: short stacking energy: -521.931
Base-Backbone interact. energy: -0.658
local terms energy: -545.370544
where:
bonds (distance) C4'-P energy: -101.532
bonds (distance) P-C4' energy: -106.050
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -75.680
tors. eta vs tors. theta energy: -142.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1710.345940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.345940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.345940 (E_RNA)
where:
Base-Base interactions energy: -1201.935
where: short stacking energy: -504.495
Base-Backbone interact. energy: -5.393
local terms energy: -503.018634
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -105.749
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -131.199
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: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1659.528062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.528062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.528062 (E_RNA)
where:
Base-Base interactions energy: -1191.509
where: short stacking energy: -502.985
Base-Backbone interact. energy: -0.046
local terms energy: -467.972464
where:
bonds (distance) C4'-P energy: -87.082
bonds (distance) P-C4' energy: -84.658
flat angles C4'-P-C4' energy: -110.846
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -123.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1514.980487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.980487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.980487 (E_RNA)
where:
Base-Base interactions energy: -1034.602
where: short stacking energy: -451.531
Base-Backbone interact. energy: -5.489
local terms energy: -474.889713
where:
bonds (distance) C4'-P energy: -96.048
bonds (distance) P-C4' energy: -99.858
flat angles C4'-P-C4' energy: -112.662
flat angles P-C4'-P energy: -66.820
tors. eta vs tors. theta energy: -99.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1317.651784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.651784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.651784 (E_RNA)
where:
Base-Base interactions energy: -900.107
where: short stacking energy: -382.345
Base-Backbone interact. energy: -2.830
local terms energy: -414.715149
where:
bonds (distance) C4'-P energy: -88.892
bonds (distance) P-C4' energy: -97.363
flat angles C4'-P-C4' energy: -77.476
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -91.054
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1235.889694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.889694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.889694 (E_RNA)
where:
Base-Base interactions energy: -820.503
where: short stacking energy: -347.573
Base-Backbone interact. energy: -1.105
local terms energy: -414.282222
where:
bonds (distance) C4'-P energy: -106.752
bonds (distance) P-C4' energy: -78.543
flat angles C4'-P-C4' energy: -84.546
flat angles P-C4'-P energy: -67.442
tors. eta vs tors. theta energy: -77.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1039.894976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.894976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.894976 (E_RNA)
where:
Base-Base interactions energy: -672.348
where: short stacking energy: -288.391
Base-Backbone interact. energy: -0.171
local terms energy: -367.375786
where:
bonds (distance) C4'-P energy: -75.119
bonds (distance) P-C4' energy: -91.321
flat angles C4'-P-C4' energy: -102.041
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -929.627591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.627591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.627591 (E_RNA)
where:
Base-Base interactions energy: -573.305
where: short stacking energy: -269.211
Base-Backbone interact. energy: -1.552
local terms energy: -354.770047
where:
bonds (distance) C4'-P energy: -85.404
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -95.049
flat angles P-C4'-P energy: -42.362
tors. eta vs tors. theta energy: -38.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1951.451917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.451917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.451917 (E_RNA)
where:
Base-Base interactions energy: -1392.909
where: short stacking energy: -561.721
Base-Backbone interact. energy: -0.884
local terms energy: -557.658979
where:
bonds (distance) C4'-P energy: -97.180
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -131.287
flat angles P-C4'-P energy: -77.396
tors. eta vs tors. theta energy: -149.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1852.467425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.467425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.467425 (E_RNA)
where:
Base-Base interactions energy: -1306.577
where: short stacking energy: -542.123
Base-Backbone interact. energy: -2.673
local terms energy: -543.217256
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -105.387
flat angles C4'-P-C4' energy: -108.358
flat angles P-C4'-P energy: -82.099
tors. eta vs tors. theta energy: -142.565
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: 403
Temperature: 1.000000
Total energy: -1777.101862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.101862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.101862 (E_RNA)
where:
Base-Base interactions energy: -1254.080
where: short stacking energy: -505.599
Base-Backbone interact. energy: 1.323
local terms energy: -524.344195
where:
bonds (distance) C4'-P energy: -91.994
bonds (distance) P-C4' energy: -99.089
flat angles C4'-P-C4' energy: -115.592
flat angles P-C4'-P energy: -82.133
tors. eta vs tors. theta energy: -135.536
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1750.257113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.257113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.257113 (E_RNA)
where:
Base-Base interactions energy: -1245.772
where: short stacking energy: -523.788
Base-Backbone interact. energy: -2.577
local terms energy: -501.908234
where:
bonds (distance) C4'-P energy: -91.306
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -120.826
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -133.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1640.521434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.521434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.521434 (E_RNA)
where:
Base-Base interactions energy: -1150.823
where: short stacking energy: -474.456
Base-Backbone interact. energy: 0.070
local terms energy: -489.768486
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -98.079
flat angles C4'-P-C4' energy: -117.908
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -125.098
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: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1371.350334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.350334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.350334 (E_RNA)
where:
Base-Base interactions energy: -914.886
where: short stacking energy: -371.932
Base-Backbone interact. energy: -0.801
local terms energy: -455.663404
where:
bonds (distance) C4'-P energy: -102.944
bonds (distance) P-C4' energy: -90.405
flat angles C4'-P-C4' energy: -105.256
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -89.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1370.058554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.058554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.058554 (E_RNA)
where:
Base-Base interactions energy: -951.665
where: short stacking energy: -377.586
Base-Backbone interact. energy: 1.534
local terms energy: -419.926913
where:
bonds (distance) C4'-P energy: -78.070
bonds (distance) P-C4' energy: -102.158
flat angles C4'-P-C4' energy: -99.826
flat angles P-C4'-P energy: -52.039
tors. eta vs tors. theta energy: -87.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1239.645401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.645401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.645401 (E_RNA)
where:
Base-Base interactions energy: -847.593
where: short stacking energy: -349.062
Base-Backbone interact. energy: -1.075
local terms energy: -390.977794
where:
bonds (distance) C4'-P energy: -88.512
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -91.583
flat angles P-C4'-P energy: -57.508
tors. eta vs tors. theta energy: -61.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1068.424005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.424005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.424005 (E_RNA)
where:
Base-Base interactions energy: -675.547
where: short stacking energy: -304.170
Base-Backbone interact. energy: -1.572
local terms energy: -391.305791
where:
bonds (distance) C4'-P energy: -83.863
bonds (distance) P-C4' energy: -91.198
flat angles C4'-P-C4' energy: -104.095
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -58.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -854.431390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.431390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.431390 (E_RNA)
where:
Base-Base interactions energy: -531.017
where: short stacking energy: -267.143
Base-Backbone interact. energy: -0.998
local terms energy: -322.416991
where:
bonds (distance) C4'-P energy: -82.324
bonds (distance) P-C4' energy: -86.034
flat angles C4'-P-C4' energy: -89.524
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1899.782924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.782924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.782924 (E_RNA)
where:
Base-Base interactions energy: -1335.170
where: short stacking energy: -552.918
Base-Backbone interact. energy: 4.980
local terms energy: -569.592977
where:
bonds (distance) C4'-P energy: -113.236
bonds (distance) P-C4' energy: -99.299
flat angles C4'-P-C4' energy: -126.950
flat angles P-C4'-P energy: -81.135
tors. eta vs tors. theta energy: -148.973
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: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1906.522022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.522022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.522022 (E_RNA)
where:
Base-Base interactions energy: -1371.583
where: short stacking energy: -545.573
Base-Backbone interact. energy: -3.287
local terms energy: -531.652676
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -101.064
flat angles C4'-P-C4' energy: -123.256
flat angles P-C4'-P energy: -81.615
tors. eta vs tors. theta energy: -143.419
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: 404
Temperature: 1.000000
Total energy: -1783.356866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.356866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.356866 (E_RNA)
where:
Base-Base interactions energy: -1259.789
where: short stacking energy: -516.569
Base-Backbone interact. energy: -2.133
local terms energy: -521.434951
where:
bonds (distance) C4'-P energy: -100.121
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -116.424
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -133.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1730.370123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.370123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.370123 (E_RNA)
where:
Base-Base interactions energy: -1211.013
where: short stacking energy: -495.169
Base-Backbone interact. energy: -4.592
local terms energy: -514.765737
where:
bonds (distance) C4'-P energy: -81.712
bonds (distance) P-C4' energy: -104.325
flat angles C4'-P-C4' energy: -108.988
flat angles P-C4'-P energy: -87.050
tors. eta vs tors. theta energy: -132.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1650.719727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.719727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.719727 (E_RNA)
where:
Base-Base interactions energy: -1143.171
where: short stacking energy: -464.801
Base-Backbone interact. energy: -3.083
local terms energy: -504.466078
where:
bonds (distance) C4'-P energy: -103.516
bonds (distance) P-C4' energy: -105.505
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -62.010
tors. eta vs tors. theta energy: -119.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1407.919890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.919890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.919890 (E_RNA)
where:
Base-Base interactions energy: -961.161
where: short stacking energy: -416.887
Base-Backbone interact. energy: -0.368
local terms energy: -446.390482
where:
bonds (distance) C4'-P energy: -106.439
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -115.580
flat angles P-C4'-P energy: -63.111
tors. eta vs tors. theta energy: -101.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1400.881375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.881375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.881375 (E_RNA)
where:
Base-Base interactions energy: -984.082
where: short stacking energy: -405.283
Base-Backbone interact. energy: 2.812
local terms energy: -419.610961
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -99.301
flat angles P-C4'-P energy: -56.056
tors. eta vs tors. theta energy: -93.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1276.392519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.392519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.392519 (E_RNA)
where:
Base-Base interactions energy: -851.869
where: short stacking energy: -368.587
Base-Backbone interact. energy: -2.107
local terms energy: -422.416043
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -91.732
flat angles C4'-P-C4' energy: -100.228
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -87.160
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: 404
Temperature: 1.300000
Total energy: -1093.930646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.930646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.930646 (E_RNA)
where:
Base-Base interactions energy: -709.992
where: short stacking energy: -318.736
Base-Backbone interact. energy: 2.808
local terms energy: -386.746029
where:
bonds (distance) C4'-P energy: -74.033
bonds (distance) P-C4' energy: -84.943
flat angles C4'-P-C4' energy: -98.938
flat angles P-C4'-P energy: -62.997
tors. eta vs tors. theta energy: -65.835
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: 404
Temperature: 1.350000
Total energy: -918.443270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.443270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.443270 (E_RNA)
where:
Base-Base interactions energy: -557.310
where: short stacking energy: -263.825
Base-Backbone interact. energy: 4.437
local terms energy: -365.569896
where:
bonds (distance) C4'-P energy: -84.106
bonds (distance) P-C4' energy: -91.539
flat angles C4'-P-C4' energy: -87.027
flat angles P-C4'-P energy: -53.033
tors. eta vs tors. theta energy: -49.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1878.302434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.302434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.302434 (E_RNA)
where:
Base-Base interactions energy: -1320.330
where: short stacking energy: -567.839
Base-Backbone interact. energy: -4.979
local terms energy: -552.993799
where:
bonds (distance) C4'-P energy: -107.395
bonds (distance) P-C4' energy: -100.293
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -149.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1892.541195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.541195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.541195 (E_RNA)
where:
Base-Base interactions energy: -1334.010
where: short stacking energy: -542.154
Base-Backbone interact. energy: -2.648
local terms energy: -555.883276
where:
bonds (distance) C4'-P energy: -99.331
bonds (distance) P-C4' energy: -101.290
flat angles C4'-P-C4' energy: -129.618
flat angles P-C4'-P energy: -81.332
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: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1789.567978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.567978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.567978 (E_RNA)
where:
Base-Base interactions energy: -1255.897
where: short stacking energy: -506.694
Base-Backbone interact. energy: -2.179
local terms energy: -531.491550
where:
bonds (distance) C4'-P energy: -106.887
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -76.784
tors. eta vs tors. theta energy: -133.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1723.577948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.577948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.577948 (E_RNA)
where:
Base-Base interactions energy: -1224.022
where: short stacking energy: -521.629
Base-Backbone interact. energy: 5.968
local terms energy: -505.523163
where:
bonds (distance) C4'-P energy: -95.670
bonds (distance) P-C4' energy: -107.332
flat angles C4'-P-C4' energy: -102.729
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -133.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1667.985658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.985658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.985658 (E_RNA)
where:
Base-Base interactions energy: -1193.337
where: short stacking energy: -478.217
Base-Backbone interact. energy: -4.322
local terms energy: -470.326675
where:
bonds (distance) C4'-P energy: -87.521
bonds (distance) P-C4' energy: -88.680
flat angles C4'-P-C4' energy: -102.947
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -125.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1436.513345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.513345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.513345 (E_RNA)
where:
Base-Base interactions energy: -989.820
where: short stacking energy: -395.439
Base-Backbone interact. energy: 2.706
local terms energy: -449.398988
where:
bonds (distance) C4'-P energy: -92.970
bonds (distance) P-C4' energy: -91.529
flat angles C4'-P-C4' energy: -96.569
flat angles P-C4'-P energy: -79.240
tors. eta vs tors. theta energy: -89.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1345.568984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.568984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.568984 (E_RNA)
where:
Base-Base interactions energy: -926.470
where: short stacking energy: -380.367
Base-Backbone interact. energy: -0.719
local terms energy: -418.380067
where:
bonds (distance) C4'-P energy: -106.899
bonds (distance) P-C4' energy: -75.566
flat angles C4'-P-C4' energy: -92.885
flat angles P-C4'-P energy: -66.921
tors. eta vs tors. theta energy: -76.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1273.731892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.731892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.731892 (E_RNA)
where:
Base-Base interactions energy: -872.584
where: short stacking energy: -361.267
Base-Backbone interact. energy: 1.548
local terms energy: -402.695697
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -87.411
flat angles C4'-P-C4' energy: -97.644
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -86.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1128.950817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.950817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.950817 (E_RNA)
where:
Base-Base interactions energy: -784.198
where: short stacking energy: -330.794
Base-Backbone interact. energy: 5.321
local terms energy: -350.073397
where:
bonds (distance) C4'-P energy: -62.783
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -96.750
flat angles P-C4'-P energy: -42.022
tors. eta vs tors. theta energy: -63.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -854.557849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.557849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.557849 (E_RNA)
where:
Base-Base interactions energy: -517.801
where: short stacking energy: -253.360
Base-Backbone interact. energy: 4.787
local terms energy: -341.543738
where:
bonds (distance) C4'-P energy: -92.691
bonds (distance) P-C4' energy: -99.872
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -46.967
tors. eta vs tors. theta energy: -25.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1954.016635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.016635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.016635 (E_RNA)
where:
Base-Base interactions energy: -1362.777
where: short stacking energy: -549.201
Base-Backbone interact. energy: -3.197
local terms energy: -588.042798
where:
bonds (distance) C4'-P energy: -104.425
bonds (distance) P-C4' energy: -105.677
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -94.323
tors. eta vs tors. theta energy: -151.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1901.375629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.375629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.375629 (E_RNA)
where:
Base-Base interactions energy: -1324.638
where: short stacking energy: -568.632
Base-Backbone interact. energy: -5.512
local terms energy: -571.225575
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -104.454
flat angles C4'-P-C4' energy: -122.318
flat angles P-C4'-P energy: -83.090
tors. eta vs tors. theta energy: -153.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1776.929625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.929625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.929625 (E_RNA)
where:
Base-Base interactions energy: -1246.188
where: short stacking energy: -505.464
Base-Backbone interact. energy: -2.320
local terms energy: -528.421543
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -103.922
flat angles C4'-P-C4' energy: -109.039
flat angles P-C4'-P energy: -76.279
tors. eta vs tors. theta energy: -140.309
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: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1730.733039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.733039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.733039 (E_RNA)
where:
Base-Base interactions energy: -1215.103
where: short stacking energy: -491.315
Base-Backbone interact. energy: 1.938
local terms energy: -517.567959
where:
bonds (distance) C4'-P energy: -94.110
bonds (distance) P-C4' energy: -99.422
flat angles C4'-P-C4' energy: -114.998
flat angles P-C4'-P energy: -74.120
tors. eta vs tors. theta energy: -134.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1631.019366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.019366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.019366 (E_RNA)
where:
Base-Base interactions energy: -1128.504
where: short stacking energy: -476.345
Base-Backbone interact. energy: -1.120
local terms energy: -501.395058
where:
bonds (distance) C4'-P energy: -78.133
bonds (distance) P-C4' energy: -109.947
flat angles C4'-P-C4' energy: -116.847
flat angles P-C4'-P energy: -74.764
tors. eta vs tors. theta energy: -121.705
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1477.167948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.167948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.167948 (E_RNA)
where:
Base-Base interactions energy: -1018.222
where: short stacking energy: -414.872
Base-Backbone interact. energy: -1.342
local terms energy: -457.603137
where:
bonds (distance) C4'-P energy: -95.740
bonds (distance) P-C4' energy: -97.339
flat angles C4'-P-C4' energy: -108.537
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -97.215
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: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1277.833129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.833129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.833129 (E_RNA)
where:
Base-Base interactions energy: -857.190
where: short stacking energy: -349.219
Base-Backbone interact. energy: 2.461
local terms energy: -423.103596
where:
bonds (distance) C4'-P energy: -103.859
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -97.298
flat angles P-C4'-P energy: -61.608
tors. eta vs tors. theta energy: -77.454
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1357.606290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.606290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.606290 (E_RNA)
where:
Base-Base interactions energy: -955.297
where: short stacking energy: -399.567
Base-Backbone interact. energy: -1.403
local terms energy: -400.905917
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -89.302
flat angles C4'-P-C4' energy: -86.541
flat angles P-C4'-P energy: -60.477
tors. eta vs tors. theta energy: -95.265
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: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1069.480472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.480472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.480472 (E_RNA)
where:
Base-Base interactions energy: -690.274
where: short stacking energy: -301.000
Base-Backbone interact. energy: -0.387
local terms energy: -378.819554
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -93.621
flat angles C4'-P-C4' energy: -82.935
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -48.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -862.110853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.110853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.110853 (E_RNA)
where:
Base-Base interactions energy: -504.935
where: short stacking energy: -222.827
Base-Backbone interact. energy: -1.851
local terms energy: -355.324733
where:
bonds (distance) C4'-P energy: -89.438
bonds (distance) P-C4' energy: -88.617
flat angles C4'-P-C4' energy: -93.394
flat angles P-C4'-P energy: -61.619
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: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1949.238257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.238257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.238257 (E_RNA)
where:
Base-Base interactions energy: -1379.926
where: short stacking energy: -557.544
Base-Backbone interact. energy: -4.772
local terms energy: -564.540670
where:
bonds (distance) C4'-P energy: -110.121
bonds (distance) P-C4' energy: -107.650
flat angles C4'-P-C4' energy: -124.316
flat angles P-C4'-P energy: -76.694
tors. eta vs tors. theta energy: -145.760
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: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1800.430691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.430691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.430691 (E_RNA)
where:
Base-Base interactions energy: -1253.673
where: short stacking energy: -525.283
Base-Backbone interact. energy: -0.868
local terms energy: -545.889275
where:
bonds (distance) C4'-P energy: -116.306
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -82.608
tors. eta vs tors. theta energy: -134.623
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: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1807.421563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.421563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.421563 (E_RNA)
where:
Base-Base interactions energy: -1261.573
where: short stacking energy: -531.816
Base-Backbone interact. energy: -1.255
local terms energy: -544.592762
where:
bonds (distance) C4'-P energy: -99.248
bonds (distance) P-C4' energy: -101.418
flat angles C4'-P-C4' energy: -115.618
flat angles P-C4'-P energy: -88.878
tors. eta vs tors. theta energy: -139.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1717.690902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.690902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.690902 (E_RNA)
where:
Base-Base interactions energy: -1213.937
where: short stacking energy: -496.559
Base-Backbone interact. energy: 1.793
local terms energy: -505.547731
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -104.951
flat angles C4'-P-C4' energy: -118.242
flat angles P-C4'-P energy: -59.712
tors. eta vs tors. theta energy: -123.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1659.209888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.209888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.209888 (E_RNA)
where:
Base-Base interactions energy: -1150.288
where: short stacking energy: -490.751
Base-Backbone interact. energy: 0.358
local terms energy: -509.279797
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -92.677
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -69.223
tors. eta vs tors. theta energy: -140.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1502.367812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.367812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.367812 (E_RNA)
where:
Base-Base interactions energy: -1047.747
where: short stacking energy: -434.558
Base-Backbone interact. energy: -1.051
local terms energy: -453.570222
where:
bonds (distance) C4'-P energy: -83.901
bonds (distance) P-C4' energy: -98.840
flat angles C4'-P-C4' energy: -102.323
flat angles P-C4'-P energy: -71.962
tors. eta vs tors. theta energy: -96.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1323.047555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.047555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.047555 (E_RNA)
where:
Base-Base interactions energy: -882.254
where: short stacking energy: -380.871
Base-Backbone interact. energy: -1.768
local terms energy: -439.025394
where:
bonds (distance) C4'-P energy: -97.960
bonds (distance) P-C4' energy: -86.422
flat angles C4'-P-C4' energy: -103.926
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -86.050
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1259.282995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.282995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.282995 (E_RNA)
where:
Base-Base interactions energy: -839.377
where: short stacking energy: -340.748
Base-Backbone interact. energy: 0.559
local terms energy: -420.465257
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -86.612
flat angles C4'-P-C4' energy: -100.351
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -68.702
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1095.474637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.474637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.474637 (E_RNA)
where:
Base-Base interactions energy: -735.768
where: short stacking energy: -310.531
Base-Backbone interact. energy: -4.640
local terms energy: -355.066599
where:
bonds (distance) C4'-P energy: -86.524
bonds (distance) P-C4' energy: -82.555
flat angles C4'-P-C4' energy: -82.367
flat angles P-C4'-P energy: -46.920
tors. eta vs tors. theta energy: -56.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -880.812540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.812540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.812540 (E_RNA)
where:
Base-Base interactions energy: -557.399
where: short stacking energy: -258.035
Base-Backbone interact. energy: -2.383
local terms energy: -321.030645
where:
bonds (distance) C4'-P energy: -84.438
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -85.459
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1958.270824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.270824 (E_RNA)
where:
Base-Base interactions energy: -1400.648
where: short stacking energy: -558.815
Base-Backbone interact. energy: -3.722
local terms energy: -553.901235
where:
bonds (distance) C4'-P energy: -88.937
bonds (distance) P-C4' energy: -121.263
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -79.673
tors. eta vs tors. theta energy: -147.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1818.277060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.277060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.277060 (E_RNA)
where:
Base-Base interactions energy: -1281.122
where: short stacking energy: -520.093
Base-Backbone interact. energy: -4.256
local terms energy: -532.898735
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -107.815
flat angles P-C4'-P energy: -72.617
tors. eta vs tors. theta energy: -142.781
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1832.653839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.653839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.653839 (E_RNA)
where:
Base-Base interactions energy: -1305.047
where: short stacking energy: -548.796
Base-Backbone interact. energy: -4.531
local terms energy: -523.076113
where:
bonds (distance) C4'-P energy: -102.531
bonds (distance) P-C4' energy: -90.001
flat angles C4'-P-C4' energy: -119.586
flat angles P-C4'-P energy: -73.973
tors. eta vs tors. theta energy: -136.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1728.291255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.291255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.291255 (E_RNA)
where:
Base-Base interactions energy: -1212.129
where: short stacking energy: -479.651
Base-Backbone interact. energy: 3.705
local terms energy: -519.867350
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -103.420
flat angles C4'-P-C4' energy: -112.372
flat angles P-C4'-P energy: -86.225
tors. eta vs tors. theta energy: -119.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1635.841173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.841173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.841173 (E_RNA)
where:
Base-Base interactions energy: -1155.621
where: short stacking energy: -470.187
Base-Backbone interact. energy: -0.769
local terms energy: -479.451401
where:
bonds (distance) C4'-P energy: -103.693
bonds (distance) P-C4' energy: -89.003
flat angles C4'-P-C4' energy: -107.235
flat angles P-C4'-P energy: -57.575
tors. eta vs tors. theta energy: -121.946
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: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1444.659228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.659228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.659228 (E_RNA)
where:
Base-Base interactions energy: -1016.430
where: short stacking energy: -408.583
Base-Backbone interact. energy: -2.449
local terms energy: -425.780126
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -97.748
flat angles C4'-P-C4' energy: -85.639
flat angles P-C4'-P energy: -53.321
tors. eta vs tors. theta energy: -97.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1315.465413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.465413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.465413 (E_RNA)
where:
Base-Base interactions energy: -900.392
where: short stacking energy: -408.400
Base-Backbone interact. energy: -1.097
local terms energy: -413.976702
where:
bonds (distance) C4'-P energy: -86.644
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -111.987
flat angles P-C4'-P energy: -64.913
tors. eta vs tors. theta energy: -81.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1275.872179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.872179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.872179 (E_RNA)
where:
Base-Base interactions energy: -873.937
where: short stacking energy: -368.601
Base-Backbone interact. energy: -0.820
local terms energy: -401.114553
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -69.501
flat angles C4'-P-C4' energy: -93.330
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -80.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1076.158724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.158724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.158724 (E_RNA)
where:
Base-Base interactions energy: -697.081
where: short stacking energy: -307.695
Base-Backbone interact. energy: -1.783
local terms energy: -377.295130
where:
bonds (distance) C4'-P energy: -90.567
bonds (distance) P-C4' energy: -97.340
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -877.216564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.216564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.216564 (E_RNA)
where:
Base-Base interactions energy: -553.781
where: short stacking energy: -248.969
Base-Backbone interact. energy: -2.279
local terms energy: -321.155994
where:
bonds (distance) C4'-P energy: -72.650
bonds (distance) P-C4' energy: -85.991
flat angles C4'-P-C4' energy: -88.281
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1988.250385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.250385 (E_RNA)
where:
Base-Base interactions energy: -1399.660
where: short stacking energy: -566.958
Base-Backbone interact. energy: -3.457
local terms energy: -585.133156
where:
bonds (distance) C4'-P energy: -100.830
bonds (distance) P-C4' energy: -107.908
flat angles C4'-P-C4' energy: -132.069
flat angles P-C4'-P energy: -83.667
tors. eta vs tors. theta energy: -160.660
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: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1833.071886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.071886 (E_RNA)
where:
Base-Base interactions energy: -1275.955
where: short stacking energy: -531.442
Base-Backbone interact. energy: -1.069
local terms energy: -556.047354
where:
bonds (distance) C4'-P energy: -90.376
bonds (distance) P-C4' energy: -111.754
flat angles C4'-P-C4' energy: -115.955
flat angles P-C4'-P energy: -85.533
tors. eta vs tors. theta energy: -152.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1795.289848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.289848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.289848 (E_RNA)
where:
Base-Base interactions energy: -1250.600
where: short stacking energy: -519.327
Base-Backbone interact. energy: -2.492
local terms energy: -542.197684
where:
bonds (distance) C4'-P energy: -91.964
bonds (distance) P-C4' energy: -117.342
flat angles C4'-P-C4' energy: -109.963
flat angles P-C4'-P energy: -81.603
tors. eta vs tors. theta energy: -141.326
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: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1684.316993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.316993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.316993 (E_RNA)
where:
Base-Base interactions energy: -1192.043
where: short stacking energy: -483.641
Base-Backbone interact. energy: -1.684
local terms energy: -490.590195
where:
bonds (distance) C4'-P energy: -103.578
bonds (distance) P-C4' energy: -103.887
flat angles C4'-P-C4' energy: -103.346
flat angles P-C4'-P energy: -58.023
tors. eta vs tors. theta energy: -121.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1652.353799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.353799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.353799 (E_RNA)
where:
Base-Base interactions energy: -1180.374
where: short stacking energy: -497.081
Base-Backbone interact. energy: -1.017
local terms energy: -470.962105
where:
bonds (distance) C4'-P energy: -88.049
bonds (distance) P-C4' energy: -90.908
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -65.562
tors. eta vs tors. theta energy: -117.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1481.402333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.402333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.402333 (E_RNA)
where:
Base-Base interactions energy: -1007.895
where: short stacking energy: -432.989
Base-Backbone interact. energy: -2.949
local terms energy: -470.558404
where:
bonds (distance) C4'-P energy: -97.239
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -113.970
flat angles P-C4'-P energy: -68.323
tors. eta vs tors. theta energy: -99.374
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: 409
Temperature: 1.200000
Total energy: -1375.081305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.081305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.081305 (E_RNA)
where:
Base-Base interactions energy: -906.559
where: short stacking energy: -396.903
Base-Backbone interact. energy: -0.976
local terms energy: -467.547009
where:
bonds (distance) C4'-P energy: -89.668
bonds (distance) P-C4' energy: -105.486
flat angles C4'-P-C4' energy: -100.950
flat angles P-C4'-P energy: -70.582
tors. eta vs tors. theta energy: -100.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1264.586481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.586481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.586481 (E_RNA)
where:
Base-Base interactions energy: -845.818
where: short stacking energy: -377.222
Base-Backbone interact. energy: 0.069
local terms energy: -418.837726
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -93.607
flat angles C4'-P-C4' energy: -112.787
flat angles P-C4'-P energy: -59.376
tors. eta vs tors. theta energy: -77.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1062.027387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.027387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.027387 (E_RNA)
where:
Base-Base interactions energy: -685.421
where: short stacking energy: -313.269
Base-Backbone interact. energy: -0.351
local terms energy: -376.255332
where:
bonds (distance) C4'-P energy: -75.220
bonds (distance) P-C4' energy: -84.662
flat angles C4'-P-C4' energy: -91.180
flat angles P-C4'-P energy: -60.410
tors. eta vs tors. theta energy: -64.784
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: 409
Temperature: 1.350000
Total energy: -860.098298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.098298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.098298 (E_RNA)
where:
Base-Base interactions energy: -523.386
where: short stacking energy: -243.313
Base-Backbone interact. energy: -0.736
local terms energy: -335.976786
where:
bonds (distance) C4'-P energy: -75.302
bonds (distance) P-C4' energy: -88.597
flat angles C4'-P-C4' energy: -98.217
flat angles P-C4'-P energy: -53.912
tors. eta vs tors. theta energy: -19.949
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: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1947.195168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.195168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.195168 (E_RNA)
where:
Base-Base interactions energy: -1391.137
where: short stacking energy: -557.502
Base-Backbone interact. energy: -0.012
local terms energy: -556.046690
where:
bonds (distance) C4'-P energy: -107.807
bonds (distance) P-C4' energy: -107.014
flat angles C4'-P-C4' energy: -116.134
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: -150.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1836.103983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.103983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.103983 (E_RNA)
where:
Base-Base interactions energy: -1268.456
where: short stacking energy: -517.761
Base-Backbone interact. energy: -1.720
local terms energy: -565.928420
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -108.253
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -89.076
tors. eta vs tors. theta energy: -138.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1794.625968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.625968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.625968 (E_RNA)
where:
Base-Base interactions energy: -1264.946
where: short stacking energy: -522.488
Base-Backbone interact. energy: -0.838
local terms energy: -528.842708
where:
bonds (distance) C4'-P energy: -90.557
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -114.460
flat angles P-C4'-P energy: -71.364
tors. eta vs tors. theta energy: -152.697
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: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1694.082504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.082504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.082504 (E_RNA)
where:
Base-Base interactions energy: -1170.311
where: short stacking energy: -496.086
Base-Backbone interact. energy: 1.538
local terms energy: -525.309310
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -99.621
flat angles C4'-P-C4' energy: -121.600
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -126.740
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1657.792671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.792671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.792671 (E_RNA)
where:
Base-Base interactions energy: -1168.481
where: short stacking energy: -464.021
Base-Backbone interact. energy: 2.754
local terms energy: -492.066109
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -102.994
flat angles C4'-P-C4' energy: -99.769
flat angles P-C4'-P energy: -66.536
tors. eta vs tors. theta energy: -121.881
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: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1504.216171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.216171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.216171 (E_RNA)
where:
Base-Base interactions energy: -1059.492
where: short stacking energy: -448.782
Base-Backbone interact. energy: 0.769
local terms energy: -445.493115
where:
bonds (distance) C4'-P energy: -63.634
bonds (distance) P-C4' energy: -100.897
flat angles C4'-P-C4' energy: -105.993
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: -113.474
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: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1376.292325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.292325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.292325 (E_RNA)
where:
Base-Base interactions energy: -961.523
where: short stacking energy: -416.251
Base-Backbone interact. energy: -0.666
local terms energy: -414.102737
where:
bonds (distance) C4'-P energy: -76.603
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -59.935
tors. eta vs tors. theta energy: -92.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1305.330120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.330120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.330120 (E_RNA)
where:
Base-Base interactions energy: -865.412
where: short stacking energy: -377.427
Base-Backbone interact. energy: 7.092
local terms energy: -447.010456
where:
bonds (distance) C4'-P energy: -93.877
bonds (distance) P-C4' energy: -105.766
flat angles C4'-P-C4' energy: -102.344
flat angles P-C4'-P energy: -66.813
tors. eta vs tors. theta energy: -78.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1021.457981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.457981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.457981 (E_RNA)
where:
Base-Base interactions energy: -657.559
where: short stacking energy: -290.911
Base-Backbone interact. energy: -3.836
local terms energy: -360.063258
where:
bonds (distance) C4'-P energy: -67.074
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -93.136
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -58.879
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: 410
Temperature: 1.350000
Total energy: -825.147962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.147962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.147962 (E_RNA)
where:
Base-Base interactions energy: -498.827
where: short stacking energy: -222.465
Base-Backbone interact. energy: -0.237
local terms energy: -326.084711
where:
bonds (distance) C4'-P energy: -73.477
bonds (distance) P-C4' energy: -105.816
flat angles C4'-P-C4' energy: -86.824
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -10.900
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: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1952.412532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.412532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.412532 (E_RNA)
where:
Base-Base interactions energy: -1374.784
where: short stacking energy: -575.824
Base-Backbone interact. energy: -1.036
local terms energy: -576.592839
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -122.131
flat angles P-C4'-P energy: -80.942
tors. eta vs tors. theta energy: -154.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1862.567418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.567418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.567418 (E_RNA)
where:
Base-Base interactions energy: -1316.104
where: short stacking energy: -557.813
Base-Backbone interact. energy: -2.282
local terms energy: -544.181819
where:
bonds (distance) C4'-P energy: -96.789
bonds (distance) P-C4' energy: -107.373
flat angles C4'-P-C4' energy: -109.300
flat angles P-C4'-P energy: -85.453
tors. eta vs tors. theta energy: -145.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1796.901865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.901865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.901865 (E_RNA)
where:
Base-Base interactions energy: -1263.048
where: short stacking energy: -518.353
Base-Backbone interact. energy: -0.621
local terms energy: -533.233280
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -106.600
flat angles C4'-P-C4' energy: -117.151
flat angles P-C4'-P energy: -68.349
tors. eta vs tors. theta energy: -149.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1694.506964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.506964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.506964 (E_RNA)
where:
Base-Base interactions energy: -1173.703
where: short stacking energy: -479.358
Base-Backbone interact. energy: -2.973
local terms energy: -517.831241
where:
bonds (distance) C4'-P energy: -100.625
bonds (distance) P-C4' energy: -110.465
flat angles C4'-P-C4' energy: -106.101
flat angles P-C4'-P energy: -83.205
tors. eta vs tors. theta energy: -117.435
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: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1625.609015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.609015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.609015 (E_RNA)
where:
Base-Base interactions energy: -1140.470
where: short stacking energy: -461.970
Base-Backbone interact. energy: -3.450
local terms energy: -481.688824
where:
bonds (distance) C4'-P energy: -99.471
bonds (distance) P-C4' energy: -101.781
flat angles C4'-P-C4' energy: -95.847
flat angles P-C4'-P energy: -73.721
tors. eta vs tors. theta energy: -110.868
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: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1513.848993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.848993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.848993 (E_RNA)
where:
Base-Base interactions energy: -1058.596
where: short stacking energy: -442.643
Base-Backbone interact. energy: 2.083
local terms energy: -457.336290
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -87.124
flat angles C4'-P-C4' energy: -115.645
flat angles P-C4'-P energy: -55.202
tors. eta vs tors. theta energy: -95.169
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: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1364.455785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.455785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.455785 (E_RNA)
where:
Base-Base interactions energy: -935.828
where: short stacking energy: -407.060
Base-Backbone interact. energy: -1.721
local terms energy: -426.906664
where:
bonds (distance) C4'-P energy: -79.399
bonds (distance) P-C4' energy: -100.222
flat angles C4'-P-C4' energy: -95.008
flat angles P-C4'-P energy: -67.245
tors. eta vs tors. theta energy: -85.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1260.951997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.951997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.951997 (E_RNA)
where:
Base-Base interactions energy: -862.504
where: short stacking energy: -366.687
Base-Backbone interact. energy: 0.772
local terms energy: -399.220198
where:
bonds (distance) C4'-P energy: -90.973
bonds (distance) P-C4' energy: -75.085
flat angles C4'-P-C4' energy: -96.875
flat angles P-C4'-P energy: -57.913
tors. eta vs tors. theta energy: -78.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1015.208366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.208366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.208366 (E_RNA)
where:
Base-Base interactions energy: -650.294
where: short stacking energy: -290.373
Base-Backbone interact. energy: 1.297
local terms energy: -366.211399
where:
bonds (distance) C4'-P energy: -80.314
bonds (distance) P-C4' energy: -95.630
flat angles C4'-P-C4' energy: -93.298
flat angles P-C4'-P energy: -51.863
tors. eta vs tors. theta energy: -45.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -858.038978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.038978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.038978 (E_RNA)
where:
Base-Base interactions energy: -534.192
where: short stacking energy: -253.130
Base-Backbone interact. energy: -0.031
local terms energy: -323.815074
where:
bonds (distance) C4'-P energy: -83.750
bonds (distance) P-C4' energy: -84.406
flat angles C4'-P-C4' energy: -75.770
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1926.366579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.366579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.366579 (E_RNA)
where:
Base-Base interactions energy: -1339.503
where: short stacking energy: -575.648
Base-Backbone interact. energy: -3.876
local terms energy: -582.988226
where:
bonds (distance) C4'-P energy: -109.599
bonds (distance) P-C4' energy: -98.646
flat angles C4'-P-C4' energy: -130.898
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -158.630
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1844.109436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.109436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.109436 (E_RNA)
where:
Base-Base interactions energy: -1285.895
where: short stacking energy: -530.511
Base-Backbone interact. energy: -4.924
local terms energy: -553.290535
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -101.116
flat angles C4'-P-C4' energy: -116.377
flat angles P-C4'-P energy: -85.983
tors. eta vs tors. theta energy: -143.714
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1807.823437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.823437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.823437 (E_RNA)
where:
Base-Base interactions energy: -1247.001
where: short stacking energy: -528.530
Base-Backbone interact. energy: 0.655
local terms energy: -561.477755
where:
bonds (distance) C4'-P energy: -104.745
bonds (distance) P-C4' energy: -109.247
flat angles C4'-P-C4' energy: -122.402
flat angles P-C4'-P energy: -68.590
tors. eta vs tors. theta energy: -156.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1712.771690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.771690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.771690 (E_RNA)
where:
Base-Base interactions energy: -1195.061
where: short stacking energy: -508.323
Base-Backbone interact. energy: -1.519
local terms energy: -516.191838
where:
bonds (distance) C4'-P energy: -96.949
bonds (distance) P-C4' energy: -95.715
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -72.577
tors. eta vs tors. theta energy: -136.364
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: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1620.817954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.817954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.817954 (E_RNA)
where:
Base-Base interactions energy: -1147.668
where: short stacking energy: -481.123
Base-Backbone interact. energy: -1.857
local terms energy: -471.293151
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -84.877
flat angles C4'-P-C4' energy: -112.498
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -114.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1523.666412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.666412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.666412 (E_RNA)
where:
Base-Base interactions energy: -1055.433
where: short stacking energy: -455.548
Base-Backbone interact. energy: 0.458
local terms energy: -468.691458
where:
bonds (distance) C4'-P energy: -86.845
bonds (distance) P-C4' energy: -110.888
flat angles C4'-P-C4' energy: -113.908
flat angles P-C4'-P energy: -50.545
tors. eta vs tors. theta energy: -106.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1391.473568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.473568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.473568 (E_RNA)
where:
Base-Base interactions energy: -934.712
where: short stacking energy: -403.527
Base-Backbone interact. energy: 0.445
local terms energy: -457.206912
where:
bonds (distance) C4'-P energy: -89.325
bonds (distance) P-C4' energy: -107.036
flat angles C4'-P-C4' energy: -101.704
flat angles P-C4'-P energy: -63.161
tors. eta vs tors. theta energy: -95.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1278.243531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.243531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.243531 (E_RNA)
where:
Base-Base interactions energy: -850.680
where: short stacking energy: -359.094
Base-Backbone interact. energy: -1.220
local terms energy: -426.344290
where:
bonds (distance) C4'-P energy: -85.025
bonds (distance) P-C4' energy: -82.438
flat angles C4'-P-C4' energy: -104.433
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -91.562
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: 412
Temperature: 1.300000
Total energy: -1029.047007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.047007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.047007 (E_RNA)
where:
Base-Base interactions energy: -654.314
where: short stacking energy: -305.753
Base-Backbone interact. energy: 1.355
local terms energy: -376.088328
where:
bonds (distance) C4'-P energy: -79.398
bonds (distance) P-C4' energy: -92.327
flat angles C4'-P-C4' energy: -92.744
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -58.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -825.574970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.574970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.574970 (E_RNA)
where:
Base-Base interactions energy: -520.556
where: short stacking energy: -241.158
Base-Backbone interact. energy: 4.698
local terms energy: -309.717284
where:
bonds (distance) C4'-P energy: -72.299
bonds (distance) P-C4' energy: -82.730
flat angles C4'-P-C4' energy: -84.833
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -37.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1951.001386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.001386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.001386 (E_RNA)
where:
Base-Base interactions energy: -1379.148
where: short stacking energy: -591.857
Base-Backbone interact. energy: 0.361
local terms energy: -572.213658
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -105.958
flat angles C4'-P-C4' energy: -122.140
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -164.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1830.307262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.307262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.307262 (E_RNA)
where:
Base-Base interactions energy: -1293.765
where: short stacking energy: -531.974
Base-Backbone interact. energy: -4.114
local terms energy: -532.427699
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -111.953
flat angles C4'-P-C4' energy: -115.680
flat angles P-C4'-P energy: -81.565
tors. eta vs tors. theta energy: -131.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1749.914224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.914224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.914224 (E_RNA)
where:
Base-Base interactions energy: -1213.966
where: short stacking energy: -519.674
Base-Backbone interact. energy: -2.416
local terms energy: -533.532577
where:
bonds (distance) C4'-P energy: -99.681
bonds (distance) P-C4' energy: -108.889
flat angles C4'-P-C4' energy: -116.943
flat angles P-C4'-P energy: -72.622
tors. eta vs tors. theta energy: -135.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1708.587788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.587788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.587788 (E_RNA)
where:
Base-Base interactions energy: -1202.430
where: short stacking energy: -474.581
Base-Backbone interact. energy: -1.809
local terms energy: -504.349025
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -100.030
flat angles C4'-P-C4' energy: -115.710
flat angles P-C4'-P energy: -88.720
tors. eta vs tors. theta energy: -110.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1630.739695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.739695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.739695 (E_RNA)
where:
Base-Base interactions energy: -1141.458
where: short stacking energy: -467.596
Base-Backbone interact. energy: -1.485
local terms energy: -487.796936
where:
bonds (distance) C4'-P energy: -93.463
bonds (distance) P-C4' energy: -85.232
flat angles C4'-P-C4' energy: -105.952
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -127.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1550.297967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.297967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.297967 (E_RNA)
where:
Base-Base interactions energy: -1071.830
where: short stacking energy: -447.027
Base-Backbone interact. energy: 1.037
local terms energy: -479.505081
where:
bonds (distance) C4'-P energy: -85.723
bonds (distance) P-C4' energy: -98.516
flat angles C4'-P-C4' energy: -114.228
flat angles P-C4'-P energy: -77.803
tors. eta vs tors. theta energy: -103.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1363.010739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.010739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.010739 (E_RNA)
where:
Base-Base interactions energy: -929.182
where: short stacking energy: -420.174
Base-Backbone interact. energy: 2.118
local terms energy: -435.946071
where:
bonds (distance) C4'-P energy: -90.475
bonds (distance) P-C4' energy: -86.887
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -61.706
tors. eta vs tors. theta energy: -101.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1295.611951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.611951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.611951 (E_RNA)
where:
Base-Base interactions energy: -908.295
where: short stacking energy: -377.399
Base-Backbone interact. energy: 3.178
local terms energy: -390.495408
where:
bonds (distance) C4'-P energy: -73.687
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -88.634
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -89.248
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: 413
Temperature: 1.300000
Total energy: -989.275902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.275902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.275902 (E_RNA)
where:
Base-Base interactions energy: -643.841
where: short stacking energy: -277.039
Base-Backbone interact. energy: 5.802
local terms energy: -351.237006
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -86.638
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -51.474
tors. eta vs tors. theta energy: -53.810
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -837.715917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.715917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.715917 (E_RNA)
where:
Base-Base interactions energy: -501.042
where: short stacking energy: -233.896
Base-Backbone interact. energy: -0.706
local terms energy: -335.967866
where:
bonds (distance) C4'-P energy: -73.203
bonds (distance) P-C4' energy: -85.830
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -33.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1931.914692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.914692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.914692 (E_RNA)
where:
Base-Base interactions energy: -1358.336
where: short stacking energy: -560.532
Base-Backbone interact. energy: 3.692
local terms energy: -577.270743
where:
bonds (distance) C4'-P energy: -105.944
bonds (distance) P-C4' energy: -117.336
flat angles C4'-P-C4' energy: -120.909
flat angles P-C4'-P energy: -75.178
tors. eta vs tors. theta energy: -157.905
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: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1840.289525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.289525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.289525 (E_RNA)
where:
Base-Base interactions energy: -1324.222
where: short stacking energy: -528.109
Base-Backbone interact. energy: -2.114
local terms energy: -513.953050
where:
bonds (distance) C4'-P energy: -80.271
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -106.449
flat angles P-C4'-P energy: -76.629
tors. eta vs tors. theta energy: -151.393
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: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1760.421025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.421025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.421025 (E_RNA)
where:
Base-Base interactions energy: -1236.701
where: short stacking energy: -509.421
Base-Backbone interact. energy: 0.315
local terms energy: -524.034716
where:
bonds (distance) C4'-P energy: -99.063
bonds (distance) P-C4' energy: -109.440
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -127.226
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1709.475361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.475361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.475361 (E_RNA)
where:
Base-Base interactions energy: -1192.452
where: short stacking energy: -492.018
Base-Backbone interact. energy: -2.581
local terms energy: -514.442830
where:
bonds (distance) C4'-P energy: -94.970
bonds (distance) P-C4' energy: -102.676
flat angles C4'-P-C4' energy: -116.316
flat angles P-C4'-P energy: -68.742
tors. eta vs tors. theta energy: -131.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1656.657628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.657628 (E_RNA)
where:
Base-Base interactions energy: -1157.546
where: short stacking energy: -470.833
Base-Backbone interact. energy: -1.837
local terms energy: -497.274429
where:
bonds (distance) C4'-P energy: -110.631
bonds (distance) P-C4' energy: -89.854
flat angles C4'-P-C4' energy: -109.569
flat angles P-C4'-P energy: -66.994
tors. eta vs tors. theta energy: -120.226
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: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1517.238375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.238375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.238375 (E_RNA)
where:
Base-Base interactions energy: -1058.853
where: short stacking energy: -443.107
Base-Backbone interact. energy: 4.685
local terms energy: -463.070860
where:
bonds (distance) C4'-P energy: -90.220
bonds (distance) P-C4' energy: -89.946
flat angles C4'-P-C4' energy: -98.905
flat angles P-C4'-P energy: -73.066
tors. eta vs tors. theta energy: -110.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1377.782424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.782424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.782424 (E_RNA)
where:
Base-Base interactions energy: -945.222
where: short stacking energy: -388.618
Base-Backbone interact. energy: -1.463
local terms energy: -431.097043
where:
bonds (distance) C4'-P energy: -84.536
bonds (distance) P-C4' energy: -91.140
flat angles C4'-P-C4' energy: -110.709
flat angles P-C4'-P energy: -55.821
tors. eta vs tors. theta energy: -88.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1343.450383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.450383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.450383 (E_RNA)
where:
Base-Base interactions energy: -921.365
where: short stacking energy: -395.130
Base-Backbone interact. energy: 1.874
local terms energy: -423.959749
where:
bonds (distance) C4'-P energy: -95.611
bonds (distance) P-C4' energy: -77.432
flat angles C4'-P-C4' energy: -96.540
flat angles P-C4'-P energy: -71.081
tors. eta vs tors. theta energy: -83.295
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: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1007.566072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.566072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.566072 (E_RNA)
where:
Base-Base interactions energy: -619.134
where: short stacking energy: -274.752
Base-Backbone interact. energy: -1.418
local terms energy: -387.014321
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -100.762
flat angles C4'-P-C4' energy: -85.219
flat angles P-C4'-P energy: -63.791
tors. eta vs tors. theta energy: -40.309
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: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -854.034940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.034940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.034940 (E_RNA)
where:
Base-Base interactions energy: -529.069
where: short stacking energy: -256.516
Base-Backbone interact. energy: 5.741
local terms energy: -330.706871
where:
bonds (distance) C4'-P energy: -81.083
bonds (distance) P-C4' energy: -82.424
flat angles C4'-P-C4' energy: -81.723
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -43.756
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: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1931.018744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.018744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.018744 (E_RNA)
where:
Base-Base interactions energy: -1379.332
where: short stacking energy: -569.328
Base-Backbone interact. energy: -3.446
local terms energy: -548.241409
where:
bonds (distance) C4'-P energy: -98.178
bonds (distance) P-C4' energy: -104.593
flat angles C4'-P-C4' energy: -113.462
flat angles P-C4'-P energy: -80.849
tors. eta vs tors. theta energy: -151.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1863.954898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.954898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.954898 (E_RNA)
where:
Base-Base interactions energy: -1313.618
where: short stacking energy: -547.686
Base-Backbone interact. energy: -2.145
local terms energy: -548.192641
where:
bonds (distance) C4'-P energy: -101.081
bonds (distance) P-C4' energy: -107.872
flat angles C4'-P-C4' energy: -110.861
flat angles P-C4'-P energy: -71.055
tors. eta vs tors. theta energy: -157.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1746.758806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.758806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.758806 (E_RNA)
where:
Base-Base interactions energy: -1221.397
where: short stacking energy: -502.923
Base-Backbone interact. energy: -2.909
local terms energy: -522.452664
where:
bonds (distance) C4'-P energy: -97.439
bonds (distance) P-C4' energy: -104.579
flat angles C4'-P-C4' energy: -112.402
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -130.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1732.919399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.919399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.919399 (E_RNA)
where:
Base-Base interactions energy: -1204.788
where: short stacking energy: -499.613
Base-Backbone interact. energy: 2.798
local terms energy: -530.929096
where:
bonds (distance) C4'-P energy: -103.185
bonds (distance) P-C4' energy: -109.066
flat angles C4'-P-C4' energy: -113.409
flat angles P-C4'-P energy: -73.464
tors. eta vs tors. theta energy: -131.805
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: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1691.056975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.056975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.056975 (E_RNA)
where:
Base-Base interactions energy: -1166.863
where: short stacking energy: -492.811
Base-Backbone interact. energy: -2.097
local terms energy: -522.097332
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -102.714
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -68.743
tors. eta vs tors. theta energy: -139.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1493.779420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.779420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.779420 (E_RNA)
where:
Base-Base interactions energy: -1015.453
where: short stacking energy: -439.927
Base-Backbone interact. energy: -1.656
local terms energy: -476.670546
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -102.070
flat angles C4'-P-C4' energy: -106.842
flat angles P-C4'-P energy: -69.190
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: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1354.354009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.354009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.354009 (E_RNA)
where:
Base-Base interactions energy: -949.153
where: short stacking energy: -394.526
Base-Backbone interact. energy: -1.863
local terms energy: -403.337779
where:
bonds (distance) C4'-P energy: -69.454
bonds (distance) P-C4' energy: -74.924
flat angles C4'-P-C4' energy: -105.626
flat angles P-C4'-P energy: -60.560
tors. eta vs tors. theta energy: -92.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1300.213985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.213985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.213985 (E_RNA)
where:
Base-Base interactions energy: -888.125
where: short stacking energy: -362.309
Base-Backbone interact. energy: 4.662
local terms energy: -416.751804
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -99.559
flat angles C4'-P-C4' energy: -90.371
flat angles P-C4'-P energy: -60.663
tors. eta vs tors. theta energy: -74.992
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: 415
Temperature: 1.300000
Total energy: -1007.328349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.328349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.328349 (E_RNA)
where:
Base-Base interactions energy: -652.817
where: short stacking energy: -298.226
Base-Backbone interact. energy: -1.087
local terms energy: -353.424598
where:
bonds (distance) C4'-P energy: -95.259
bonds (distance) P-C4' energy: -77.888
flat angles C4'-P-C4' energy: -91.468
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: -52.956
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: 415
Temperature: 1.350000
Total energy: -842.604560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.604560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.604560 (E_RNA)
where:
Base-Base interactions energy: -548.407
where: short stacking energy: -266.543
Base-Backbone interact. energy: -0.655
local terms energy: -293.542698
where:
bonds (distance) C4'-P energy: -71.903
bonds (distance) P-C4' energy: -66.272
flat angles C4'-P-C4' energy: -77.897
flat angles P-C4'-P energy: -52.801
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1956.775030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.775030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.775030 (E_RNA)
where:
Base-Base interactions energy: -1385.934
where: short stacking energy: -549.586
Base-Backbone interact. energy: -1.902
local terms energy: -568.939710
where:
bonds (distance) C4'-P energy: -113.594
bonds (distance) P-C4' energy: -115.852
flat angles C4'-P-C4' energy: -118.813
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -149.249
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1862.487202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.487202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.487202 (E_RNA)
where:
Base-Base interactions energy: -1294.567
where: short stacking energy: -534.546
Base-Backbone interact. energy: -2.580
local terms energy: -565.340413
where:
bonds (distance) C4'-P energy: -110.432
bonds (distance) P-C4' energy: -113.549
flat angles C4'-P-C4' energy: -120.956
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -140.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1769.179881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.179881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.179881 (E_RNA)
where:
Base-Base interactions energy: -1222.661
where: short stacking energy: -483.717
Base-Backbone interact. energy: -3.080
local terms energy: -543.439696
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -116.423
flat angles C4'-P-C4' energy: -112.193
flat angles P-C4'-P energy: -78.824
tors. eta vs tors. theta energy: -138.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1713.982064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.982064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.982064 (E_RNA)
where:
Base-Base interactions energy: -1176.893
where: short stacking energy: -490.776
Base-Backbone interact. energy: -1.197
local terms energy: -535.891456
where:
bonds (distance) C4'-P energy: -107.445
bonds (distance) P-C4' energy: -98.932
flat angles C4'-P-C4' energy: -111.521
flat angles P-C4'-P energy: -86.796
tors. eta vs tors. theta energy: -131.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1669.811866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.811866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.811866 (E_RNA)
where:
Base-Base interactions energy: -1162.055
where: short stacking energy: -471.464
Base-Backbone interact. energy: 0.083
local terms energy: -507.839884
where:
bonds (distance) C4'-P energy: -92.474
bonds (distance) P-C4' energy: -99.397
flat angles C4'-P-C4' energy: -107.979
flat angles P-C4'-P energy: -86.569
tors. eta vs tors. theta energy: -121.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1478.836000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.836000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.836000 (E_RNA)
where:
Base-Base interactions energy: -1015.301
where: short stacking energy: -440.284
Base-Backbone interact. energy: 2.962
local terms energy: -466.497718
where:
bonds (distance) C4'-P energy: -97.280
bonds (distance) P-C4' energy: -99.085
flat angles C4'-P-C4' energy: -97.160
flat angles P-C4'-P energy: -66.017
tors. eta vs tors. theta energy: -106.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1392.878069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.878069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.878069 (E_RNA)
where:
Base-Base interactions energy: -942.517
where: short stacking energy: -411.870
Base-Backbone interact. energy: -0.739
local terms energy: -449.621847
where:
bonds (distance) C4'-P energy: -103.927
bonds (distance) P-C4' energy: -87.470
flat angles C4'-P-C4' energy: -106.837
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -83.863
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: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1326.739108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.739108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.739108 (E_RNA)
where:
Base-Base interactions energy: -886.910
where: short stacking energy: -374.875
Base-Backbone interact. energy: 2.794
local terms energy: -442.623336
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -79.262
flat angles C4'-P-C4' energy: -112.364
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -93.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1023.559289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.559289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.559289 (E_RNA)
where:
Base-Base interactions energy: -642.296
where: short stacking energy: -292.590
Base-Backbone interact. energy: 2.183
local terms energy: -383.446240
where:
bonds (distance) C4'-P energy: -95.852
bonds (distance) P-C4' energy: -86.676
flat angles C4'-P-C4' energy: -92.702
flat angles P-C4'-P energy: -57.814
tors. eta vs tors. theta energy: -50.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -848.822414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.822414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.822414 (E_RNA)
where:
Base-Base interactions energy: -496.981
where: short stacking energy: -252.035
Base-Backbone interact. energy: 2.089
local terms energy: -353.930314
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -90.895
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -43.858
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: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1964.030939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.030939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.030939 (E_RNA)
where:
Base-Base interactions energy: -1381.858
where: short stacking energy: -571.233
Base-Backbone interact. energy: -1.168
local terms energy: -581.004112
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -101.138
flat angles C4'-P-C4' energy: -120.904
flat angles P-C4'-P energy: -87.972
tors. eta vs tors. theta energy: -152.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1830.196638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.196638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.196638 (E_RNA)
where:
Base-Base interactions energy: -1267.747
where: short stacking energy: -528.803
Base-Backbone interact. energy: -6.123
local terms energy: -556.326264
where:
bonds (distance) C4'-P energy: -96.215
bonds (distance) P-C4' energy: -113.420
flat angles C4'-P-C4' energy: -118.851
flat angles P-C4'-P energy: -83.765
tors. eta vs tors. theta energy: -144.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1767.518848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.518848 (E_RNA)
where:
Base-Base interactions energy: -1232.405
where: short stacking energy: -507.587
Base-Backbone interact. energy: 2.663
local terms energy: -537.776891
where:
bonds (distance) C4'-P energy: -105.814
bonds (distance) P-C4' energy: -109.284
flat angles C4'-P-C4' energy: -115.846
flat angles P-C4'-P energy: -77.909
tors. eta vs tors. theta energy: -128.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1721.485643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.485643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.485643 (E_RNA)
where:
Base-Base interactions energy: -1201.200
where: short stacking energy: -497.906
Base-Backbone interact. energy: -1.841
local terms energy: -518.444526
where:
bonds (distance) C4'-P energy: -101.125
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -107.144
flat angles P-C4'-P energy: -77.785
tors. eta vs tors. theta energy: -136.265
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1640.184812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.184812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.184812 (E_RNA)
where:
Base-Base interactions energy: -1168.924
where: short stacking energy: -495.919
Base-Backbone interact. energy: -3.253
local terms energy: -468.007757
where:
bonds (distance) C4'-P energy: -80.354
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -105.082
flat angles P-C4'-P energy: -70.410
tors. eta vs tors. theta energy: -132.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1465.819351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.819351 (E_RNA)
where:
Base-Base interactions energy: -1042.168
where: short stacking energy: -448.731
Base-Backbone interact. energy: -3.277
local terms energy: -420.374594
where:
bonds (distance) C4'-P energy: -72.649
bonds (distance) P-C4' energy: -96.064
flat angles C4'-P-C4' energy: -89.601
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -94.248
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: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1458.369775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.369775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.369775 (E_RNA)
where:
Base-Base interactions energy: -1033.016
where: short stacking energy: -431.012
Base-Backbone interact. energy: 0.442
local terms energy: -425.795752
where:
bonds (distance) C4'-P energy: -80.492
bonds (distance) P-C4' energy: -80.930
flat angles C4'-P-C4' energy: -101.677
flat angles P-C4'-P energy: -59.960
tors. eta vs tors. theta energy: -102.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1318.906751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.906751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.906751 (E_RNA)
where:
Base-Base interactions energy: -882.596
where: short stacking energy: -379.564
Base-Backbone interact. energy: 4.901
local terms energy: -441.211914
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -105.495
flat angles C4'-P-C4' energy: -105.748
flat angles P-C4'-P energy: -49.785
tors. eta vs tors. theta energy: -76.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1020.478277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.478277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.478277 (E_RNA)
where:
Base-Base interactions energy: -643.784
where: short stacking energy: -281.156
Base-Backbone interact. energy: 1.859
local terms energy: -378.553733
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -98.817
flat angles C4'-P-C4' energy: -90.634
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -39.814
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: 417
Temperature: 1.350000
Total energy: -868.094026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.094026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.094026 (E_RNA)
where:
Base-Base interactions energy: -531.770
where: short stacking energy: -259.904
Base-Backbone interact. energy: 0.911
local terms energy: -337.235631
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -90.431
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1947.324189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.324189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.324189 (E_RNA)
where:
Base-Base interactions energy: -1361.414
where: short stacking energy: -566.996
Base-Backbone interact. energy: -5.465
local terms energy: -580.445316
where:
bonds (distance) C4'-P energy: -105.259
bonds (distance) P-C4' energy: -114.815
flat angles C4'-P-C4' energy: -114.506
flat angles P-C4'-P energy: -90.093
tors. eta vs tors. theta energy: -155.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1825.524807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.524807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.524807 (E_RNA)
where:
Base-Base interactions energy: -1276.013
where: short stacking energy: -525.776
Base-Backbone interact. energy: -2.604
local terms energy: -546.907620
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -124.356
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -145.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1767.781930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.781930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.781930 (E_RNA)
where:
Base-Base interactions energy: -1263.726
where: short stacking energy: -522.868
Base-Backbone interact. energy: -2.553
local terms energy: -501.502113
where:
bonds (distance) C4'-P energy: -92.074
bonds (distance) P-C4' energy: -98.024
flat angles C4'-P-C4' energy: -103.330
flat angles P-C4'-P energy: -80.480
tors. eta vs tors. theta energy: -127.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1693.183625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.183625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.183625 (E_RNA)
where:
Base-Base interactions energy: -1173.894
where: short stacking energy: -459.945
Base-Backbone interact. energy: -1.863
local terms energy: -517.426657
where:
bonds (distance) C4'-P energy: -88.998
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -120.262
flat angles P-C4'-P energy: -79.007
tors. eta vs tors. theta energy: -124.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1643.413038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.413038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.413038 (E_RNA)
where:
Base-Base interactions energy: -1157.834
where: short stacking energy: -485.471
Base-Backbone interact. energy: -1.508
local terms energy: -484.071142
where:
bonds (distance) C4'-P energy: -91.372
bonds (distance) P-C4' energy: -87.385
flat angles C4'-P-C4' energy: -114.582
flat angles P-C4'-P energy: -67.806
tors. eta vs tors. theta energy: -122.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1447.672545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.672545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.672545 (E_RNA)
where:
Base-Base interactions energy: -984.469
where: short stacking energy: -420.436
Base-Backbone interact. energy: -1.758
local terms energy: -461.446158
where:
bonds (distance) C4'-P energy: -89.407
bonds (distance) P-C4' energy: -89.108
flat angles C4'-P-C4' energy: -113.508
flat angles P-C4'-P energy: -69.302
tors. eta vs tors. theta energy: -100.122
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: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1424.132531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.132531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.132531 (E_RNA)
where:
Base-Base interactions energy: -968.001
where: short stacking energy: -403.518
Base-Backbone interact. energy: -1.154
local terms energy: -454.976831
where:
bonds (distance) C4'-P energy: -90.211
bonds (distance) P-C4' energy: -104.467
flat angles C4'-P-C4' energy: -84.884
flat angles P-C4'-P energy: -75.493
tors. eta vs tors. theta energy: -99.922
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: 418
Temperature: 1.250000
Total energy: -1309.015603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.015603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.015603 (E_RNA)
where:
Base-Base interactions energy: -880.551
where: short stacking energy: -392.668
Base-Backbone interact. energy: 0.676
local terms energy: -429.139837
where:
bonds (distance) C4'-P energy: -75.648
bonds (distance) P-C4' energy: -101.166
flat angles C4'-P-C4' energy: -89.328
flat angles P-C4'-P energy: -68.031
tors. eta vs tors. theta energy: -94.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -996.101886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.101886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.101886 (E_RNA)
where:
Base-Base interactions energy: -643.086
where: short stacking energy: -269.793
Base-Backbone interact. energy: -3.592
local terms energy: -349.423923
where:
bonds (distance) C4'-P energy: -57.314
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -82.411
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -49.098
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: 418
Temperature: 1.350000
Total energy: -823.705862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.705862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.705862 (E_RNA)
where:
Base-Base interactions energy: -502.386
where: short stacking energy: -235.241
Base-Backbone interact. energy: -1.491
local terms energy: -319.828971
where:
bonds (distance) C4'-P energy: -76.662
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -85.750
flat angles P-C4'-P energy: -45.778
tors. eta vs tors. theta energy: -19.861
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1930.574944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.574944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.574944 (E_RNA)
where:
Base-Base interactions energy: -1354.772
where: short stacking energy: -545.164
Base-Backbone interact. energy: -1.947
local terms energy: -573.855988
where:
bonds (distance) C4'-P energy: -112.724
bonds (distance) P-C4' energy: -102.735
flat angles C4'-P-C4' energy: -116.946
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -153.432
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1859.136815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.136815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.136815 (E_RNA)
where:
Base-Base interactions energy: -1314.504
where: short stacking energy: -552.873
Base-Backbone interact. energy: -2.575
local terms energy: -542.058075
where:
bonds (distance) C4'-P energy: -86.371
bonds (distance) P-C4' energy: -107.797
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -83.116
tors. eta vs tors. theta energy: -148.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1759.162106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.162106 (E_RNA)
where:
Base-Base interactions energy: -1237.413
where: short stacking energy: -520.028
Base-Backbone interact. energy: 0.685
local terms energy: -522.434141
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -109.728
flat angles C4'-P-C4' energy: -102.667
flat angles P-C4'-P energy: -76.134
tors. eta vs tors. theta energy: -137.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1705.070912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.070912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.070912 (E_RNA)
where:
Base-Base interactions energy: -1236.944
where: short stacking energy: -477.108
Base-Backbone interact. energy: -1.025
local terms energy: -467.101612
where:
bonds (distance) C4'-P energy: -92.104
bonds (distance) P-C4' energy: -84.220
flat angles C4'-P-C4' energy: -106.268
flat angles P-C4'-P energy: -73.254
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: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1694.107581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.107581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.107581 (E_RNA)
where:
Base-Base interactions energy: -1192.535
where: short stacking energy: -473.101
Base-Backbone interact. energy: 0.997
local terms energy: -502.569754
where:
bonds (distance) C4'-P energy: -88.229
bonds (distance) P-C4' energy: -91.200
flat angles C4'-P-C4' energy: -112.846
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -128.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1432.946207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.946207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.946207 (E_RNA)
where:
Base-Base interactions energy: -1009.110
where: short stacking energy: -443.297
Base-Backbone interact. energy: -2.730
local terms energy: -421.106257
where:
bonds (distance) C4'-P energy: -88.729
bonds (distance) P-C4' energy: -79.036
flat angles C4'-P-C4' energy: -93.831
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -109.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1403.898867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.898867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.898867 (E_RNA)
where:
Base-Base interactions energy: -946.967
where: short stacking energy: -388.116
Base-Backbone interact. energy: 2.936
local terms energy: -459.867689
where:
bonds (distance) C4'-P energy: -94.179
bonds (distance) P-C4' energy: -98.007
flat angles C4'-P-C4' energy: -103.562
flat angles P-C4'-P energy: -72.447
tors. eta vs tors. theta energy: -91.673
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: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1355.145017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.145017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.145017 (E_RNA)
where:
Base-Base interactions energy: -929.464
where: short stacking energy: -388.902
Base-Backbone interact. energy: -1.959
local terms energy: -423.722238
where:
bonds (distance) C4'-P energy: -75.003
bonds (distance) P-C4' energy: -100.338
flat angles C4'-P-C4' energy: -103.773
flat angles P-C4'-P energy: -60.766
tors. eta vs tors. theta energy: -83.843
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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -975.305960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.305960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.305960 (E_RNA)
where:
Base-Base interactions energy: -629.272
where: short stacking energy: -275.528
Base-Backbone interact. energy: 4.163
local terms energy: -350.196658
where:
bonds (distance) C4'-P energy: -77.886
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -88.055
flat angles P-C4'-P energy: -54.392
tors. eta vs tors. theta energy: -44.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -847.342056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.342056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.342056 (E_RNA)
where:
Base-Base interactions energy: -504.444
where: short stacking energy: -250.742
Base-Backbone interact. energy: -1.532
local terms energy: -341.365477
where:
bonds (distance) C4'-P energy: -76.125
bonds (distance) P-C4' energy: -81.229
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1951.934347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.934347 (E_RNA)
where:
Base-Base interactions energy: -1387.730
where: short stacking energy: -563.934
Base-Backbone interact. energy: -0.128
local terms energy: -564.075695
where:
bonds (distance) C4'-P energy: -107.288
bonds (distance) P-C4' energy: -106.839
flat angles C4'-P-C4' energy: -121.641
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -154.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1845.875385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.875385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.875385 (E_RNA)
where:
Base-Base interactions energy: -1285.138
where: short stacking energy: -537.166
Base-Backbone interact. energy: -4.582
local terms energy: -556.155839
where:
bonds (distance) C4'-P energy: -114.979
bonds (distance) P-C4' energy: -106.155
flat angles C4'-P-C4' energy: -117.805
flat angles P-C4'-P energy: -79.598
tors. eta vs tors. theta energy: -137.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1756.260097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.260097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.260097 (E_RNA)
where:
Base-Base interactions energy: -1209.943
where: short stacking energy: -517.801
Base-Backbone interact. energy: -2.794
local terms energy: -543.523968
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -121.296
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -78.209
tors. eta vs tors. theta energy: -130.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1734.665672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.665672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.665672 (E_RNA)
where:
Base-Base interactions energy: -1213.527
where: short stacking energy: -523.375
Base-Backbone interact. energy: 3.488
local terms energy: -524.626477
where:
bonds (distance) C4'-P energy: -103.957
bonds (distance) P-C4' energy: -98.502
flat angles C4'-P-C4' energy: -118.217
flat angles P-C4'-P energy: -67.215
tors. eta vs tors. theta energy: -136.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1687.475743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.475743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.475743 (E_RNA)
where:
Base-Base interactions energy: -1204.250
where: short stacking energy: -503.485
Base-Backbone interact. energy: 4.838
local terms energy: -488.063184
where:
bonds (distance) C4'-P energy: -81.360
bonds (distance) P-C4' energy: -105.093
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -69.252
tors. eta vs tors. theta energy: -129.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1464.465269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.465269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.465269 (E_RNA)
where:
Base-Base interactions energy: -1003.778
where: short stacking energy: -404.497
Base-Backbone interact. energy: 1.078
local terms energy: -461.765912
where:
bonds (distance) C4'-P energy: -101.443
bonds (distance) P-C4' energy: -99.275
flat angles C4'-P-C4' energy: -92.786
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -90.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1359.240969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.240969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.240969 (E_RNA)
where:
Base-Base interactions energy: -916.656
where: short stacking energy: -395.394
Base-Backbone interact. energy: -1.373
local terms energy: -441.211607
where:
bonds (distance) C4'-P energy: -91.339
bonds (distance) P-C4' energy: -92.587
flat angles C4'-P-C4' energy: -106.562
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -82.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1309.021082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.021082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.021082 (E_RNA)
where:
Base-Base interactions energy: -889.252
where: short stacking energy: -375.082
Base-Backbone interact. energy: -1.068
local terms energy: -418.701162
where:
bonds (distance) C4'-P energy: -78.190
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -106.375
flat angles P-C4'-P energy: -64.545
tors. eta vs tors. theta energy: -82.117
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: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -993.648911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.648911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.648911 (E_RNA)
where:
Base-Base interactions energy: -628.010
where: short stacking energy: -291.998
Base-Backbone interact. energy: 1.601
local terms energy: -367.239799
where:
bonds (distance) C4'-P energy: -90.791
bonds (distance) P-C4' energy: -85.261
flat angles C4'-P-C4' energy: -92.253
flat angles P-C4'-P energy: -44.022
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: 420
Temperature: 1.350000
Total energy: -855.895459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.895459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.895459 (E_RNA)
where:
Base-Base interactions energy: -538.707
where: short stacking energy: -219.203
Base-Backbone interact. energy: 0.778
local terms energy: -317.966542
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -84.889
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -26.697
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: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1949.394321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.394321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.394321 (E_RNA)
where:
Base-Base interactions energy: -1353.588
where: short stacking energy: -561.977
Base-Backbone interact. energy: -4.549
local terms energy: -591.256795
where:
bonds (distance) C4'-P energy: -106.364
bonds (distance) P-C4' energy: -116.186
flat angles C4'-P-C4' energy: -123.509
flat angles P-C4'-P energy: -80.699
tors. eta vs tors. theta energy: -164.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1842.154377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.154377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.154377 (E_RNA)
where:
Base-Base interactions energy: -1289.384
where: short stacking energy: -537.926
Base-Backbone interact. energy: -6.603
local terms energy: -546.166746
where:
bonds (distance) C4'-P energy: -94.443
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -117.968
flat angles P-C4'-P energy: -82.555
tors. eta vs tors. theta energy: -144.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1745.103603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.103603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.103603 (E_RNA)
where:
Base-Base interactions energy: -1218.102
where: short stacking energy: -492.196
Base-Backbone interact. energy: -3.040
local terms energy: -523.961246
where:
bonds (distance) C4'-P energy: -104.123
bonds (distance) P-C4' energy: -98.249
flat angles C4'-P-C4' energy: -105.679
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -136.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1747.869948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.869948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.869948 (E_RNA)
where:
Base-Base interactions energy: -1220.329
where: short stacking energy: -497.240
Base-Backbone interact. energy: -1.111
local terms energy: -526.430225
where:
bonds (distance) C4'-P energy: -94.072
bonds (distance) P-C4' energy: -106.788
flat angles C4'-P-C4' energy: -98.782
flat angles P-C4'-P energy: -88.487
tors. eta vs tors. theta energy: -138.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1664.241847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.241847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.241847 (E_RNA)
where:
Base-Base interactions energy: -1183.347
where: short stacking energy: -485.263
Base-Backbone interact. energy: -1.383
local terms energy: -479.512093
where:
bonds (distance) C4'-P energy: -91.985
bonds (distance) P-C4' energy: -88.904
flat angles C4'-P-C4' energy: -94.892
flat angles P-C4'-P energy: -75.907
tors. eta vs tors. theta energy: -127.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1415.259850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.259850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.259850 (E_RNA)
where:
Base-Base interactions energy: -964.696
where: short stacking energy: -388.428
Base-Backbone interact. energy: -0.809
local terms energy: -449.755560
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -93.396
flat angles C4'-P-C4' energy: -105.644
flat angles P-C4'-P energy: -71.667
tors. eta vs tors. theta energy: -81.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1405.219487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.219487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.219487 (E_RNA)
where:
Base-Base interactions energy: -944.363
where: short stacking energy: -402.630
Base-Backbone interact. energy: -1.721
local terms energy: -459.135323
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -113.358
flat angles P-C4'-P energy: -71.830
tors. eta vs tors. theta energy: -97.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1330.613709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.613709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.613709 (E_RNA)
where:
Base-Base interactions energy: -885.971
where: short stacking energy: -367.990
Base-Backbone interact. energy: -0.049
local terms energy: -444.594301
where:
bonds (distance) C4'-P energy: -86.815
bonds (distance) P-C4' energy: -106.228
flat angles C4'-P-C4' energy: -97.340
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: -91.711
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1027.498135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.498135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.498135 (E_RNA)
where:
Base-Base interactions energy: -684.436
where: short stacking energy: -309.890
Base-Backbone interact. energy: 5.609
local terms energy: -348.671603
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -70.141
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: -46.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -896.037517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.037517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.037517 (E_RNA)
where:
Base-Base interactions energy: -536.734
where: short stacking energy: -233.327
Base-Backbone interact. energy: 2.102
local terms energy: -361.405089
where:
bonds (distance) C4'-P energy: -75.436
bonds (distance) P-C4' energy: -96.452
flat angles C4'-P-C4' energy: -87.010
flat angles P-C4'-P energy: -63.251
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: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1960.110866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.110866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.110866 (E_RNA)
where:
Base-Base interactions energy: -1377.137
where: short stacking energy: -540.924
Base-Backbone interact. energy: -4.732
local terms energy: -578.241829
where:
bonds (distance) C4'-P energy: -109.182
bonds (distance) P-C4' energy: -113.726
flat angles C4'-P-C4' energy: -115.414
flat angles P-C4'-P energy: -80.945
tors. eta vs tors. theta energy: -158.974
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: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1874.584493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.584493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.584493 (E_RNA)
where:
Base-Base interactions energy: -1304.929
where: short stacking energy: -546.825
Base-Backbone interact. energy: -2.798
local terms energy: -566.857942
where:
bonds (distance) C4'-P energy: -117.167
bonds (distance) P-C4' energy: -89.426
flat angles C4'-P-C4' energy: -128.156
flat angles P-C4'-P energy: -82.258
tors. eta vs tors. theta energy: -149.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1765.266488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.266488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.266488 (E_RNA)
where:
Base-Base interactions energy: -1224.171
where: short stacking energy: -520.190
Base-Backbone interact. energy: -1.772
local terms energy: -539.323295
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -101.582
flat angles C4'-P-C4' energy: -124.316
flat angles P-C4'-P energy: -80.900
tors. eta vs tors. theta energy: -140.047
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: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1770.553016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.553016 (E_RNA)
where:
Base-Base interactions energy: -1258.368
where: short stacking energy: -531.203
Base-Backbone interact. energy: -2.968
local terms energy: -509.217463
where:
bonds (distance) C4'-P energy: -95.984
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -106.665
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1625.029608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.029608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.029608 (E_RNA)
where:
Base-Base interactions energy: -1156.104
where: short stacking energy: -462.197
Base-Backbone interact. energy: -0.483
local terms energy: -468.442776
where:
bonds (distance) C4'-P energy: -84.394
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -100.679
flat angles P-C4'-P energy: -64.766
tors. eta vs tors. theta energy: -119.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1410.717660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.717660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.717660 (E_RNA)
where:
Base-Base interactions energy: -959.939
where: short stacking energy: -387.156
Base-Backbone interact. energy: -3.455
local terms energy: -447.324544
where:
bonds (distance) C4'-P energy: -77.251
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -104.174
flat angles P-C4'-P energy: -74.012
tors. eta vs tors. theta energy: -99.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1358.675594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.675594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.675594 (E_RNA)
where:
Base-Base interactions energy: -921.712
where: short stacking energy: -395.621
Base-Backbone interact. energy: -2.583
local terms energy: -434.380534
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -89.013
flat angles C4'-P-C4' energy: -100.709
flat angles P-C4'-P energy: -70.119
tors. eta vs tors. theta energy: -86.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1256.573185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.573185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.573185 (E_RNA)
where:
Base-Base interactions energy: -848.480
where: short stacking energy: -352.462
Base-Backbone interact. energy: 0.271
local terms energy: -408.363922
where:
bonds (distance) C4'-P energy: -79.474
bonds (distance) P-C4' energy: -80.753
flat angles C4'-P-C4' energy: -97.721
flat angles P-C4'-P energy: -76.225
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: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1067.991241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.991241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.991241 (E_RNA)
where:
Base-Base interactions energy: -706.031
where: short stacking energy: -306.345
Base-Backbone interact. energy: -2.768
local terms energy: -359.192144
where:
bonds (distance) C4'-P energy: -71.725
bonds (distance) P-C4' energy: -95.557
flat angles C4'-P-C4' energy: -100.195
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -54.276
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: 422
Temperature: 1.350000
Total energy: -873.961621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.961621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.961621 (E_RNA)
where:
Base-Base interactions energy: -547.615
where: short stacking energy: -246.982
Base-Backbone interact. energy: -1.287
local terms energy: -325.060446
where:
bonds (distance) C4'-P energy: -77.171
bonds (distance) P-C4' energy: -86.923
flat angles C4'-P-C4' energy: -78.804
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1955.726185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.726185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.726185 (E_RNA)
where:
Base-Base interactions energy: -1389.450
where: short stacking energy: -580.082
Base-Backbone interact. energy: -3.123
local terms energy: -563.152720
where:
bonds (distance) C4'-P energy: -101.756
bonds (distance) P-C4' energy: -100.549
flat angles C4'-P-C4' energy: -124.235
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -149.814
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1881.334061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.334061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.334061 (E_RNA)
where:
Base-Base interactions energy: -1317.889
where: short stacking energy: -556.778
Base-Backbone interact. energy: -4.928
local terms energy: -558.516993
where:
bonds (distance) C4'-P energy: -97.418
bonds (distance) P-C4' energy: -99.694
flat angles C4'-P-C4' energy: -121.868
flat angles P-C4'-P energy: -92.149
tors. eta vs tors. theta energy: -147.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1763.627229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.627229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.627229 (E_RNA)
where:
Base-Base interactions energy: -1248.579
where: short stacking energy: -516.314
Base-Backbone interact. energy: -0.322
local terms energy: -514.725634
where:
bonds (distance) C4'-P energy: -97.507
bonds (distance) P-C4' energy: -96.813
flat angles C4'-P-C4' energy: -113.191
flat angles P-C4'-P energy: -70.748
tors. eta vs tors. theta energy: -136.466
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: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1742.762722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.762722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.762722 (E_RNA)
where:
Base-Base interactions energy: -1216.817
where: short stacking energy: -498.512
Base-Backbone interact. energy: -3.424
local terms energy: -522.522177
where:
bonds (distance) C4'-P energy: -94.133
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -111.618
flat angles P-C4'-P energy: -82.176
tors. eta vs tors. theta energy: -132.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1638.180578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.180578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.180578 (E_RNA)
where:
Base-Base interactions energy: -1152.299
where: short stacking energy: -474.842
Base-Backbone interact. energy: -0.857
local terms energy: -485.023902
where:
bonds (distance) C4'-P energy: -89.274
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -119.798
flat angles P-C4'-P energy: -69.471
tors. eta vs tors. theta energy: -112.705
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: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1414.281075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.281075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.281075 (E_RNA)
where:
Base-Base interactions energy: -984.088
where: short stacking energy: -427.115
Base-Backbone interact. energy: -0.064
local terms energy: -430.129763
where:
bonds (distance) C4'-P energy: -79.347
bonds (distance) P-C4' energy: -87.755
flat angles C4'-P-C4' energy: -89.802
flat angles P-C4'-P energy: -62.652
tors. eta vs tors. theta energy: -110.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1378.673748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.673748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.673748 (E_RNA)
where:
Base-Base interactions energy: -974.355
where: short stacking energy: -418.018
Base-Backbone interact. energy: 1.667
local terms energy: -405.986473
where:
bonds (distance) C4'-P energy: -83.934
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -91.938
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: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1266.164343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.164343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.164343 (E_RNA)
where:
Base-Base interactions energy: -868.892
where: short stacking energy: -362.300
Base-Backbone interact. energy: 2.180
local terms energy: -399.452331
where:
bonds (distance) C4'-P energy: -82.516
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -95.538
flat angles P-C4'-P energy: -65.239
tors. eta vs tors. theta energy: -71.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1057.749963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.749963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.749963 (E_RNA)
where:
Base-Base interactions energy: -689.401
where: short stacking energy: -296.138
Base-Backbone interact. energy: -1.458
local terms energy: -366.890933
where:
bonds (distance) C4'-P energy: -88.602
bonds (distance) P-C4' energy: -86.727
flat angles C4'-P-C4' energy: -92.863
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -56.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -827.412377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.412377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.412377 (E_RNA)
where:
Base-Base interactions energy: -510.469
where: short stacking energy: -237.689
Base-Backbone interact. energy: 1.130
local terms energy: -318.073197
where:
bonds (distance) C4'-P energy: -78.654
bonds (distance) P-C4' energy: -83.791
flat angles C4'-P-C4' energy: -77.635
flat angles P-C4'-P energy: -51.252
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1959.183221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.183221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.183221 (E_RNA)
where:
Base-Base interactions energy: -1385.942
where: short stacking energy: -586.800
Base-Backbone interact. energy: -1.257
local terms energy: -571.984052
where:
bonds (distance) C4'-P energy: -96.260
bonds (distance) P-C4' energy: -105.728
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -81.035
tors. eta vs tors. theta energy: -155.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1851.717609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.717609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.717609 (E_RNA)
where:
Base-Base interactions energy: -1295.585
where: short stacking energy: -521.137
Base-Backbone interact. energy: -4.665
local terms energy: -551.468190
where:
bonds (distance) C4'-P energy: -100.053
bonds (distance) P-C4' energy: -111.439
flat angles C4'-P-C4' energy: -118.608
flat angles P-C4'-P energy: -72.636
tors. eta vs tors. theta energy: -148.732
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1802.271584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.271584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.271584 (E_RNA)
where:
Base-Base interactions energy: -1271.823
where: short stacking energy: -547.120
Base-Backbone interact. energy: -0.406
local terms energy: -530.042937
where:
bonds (distance) C4'-P energy: -102.686
bonds (distance) P-C4' energy: -84.611
flat angles C4'-P-C4' energy: -126.128
flat angles P-C4'-P energy: -74.731
tors. eta vs tors. theta energy: -141.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1714.853277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.853277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.853277 (E_RNA)
where:
Base-Base interactions energy: -1196.995
where: short stacking energy: -485.967
Base-Backbone interact. energy: 2.527
local terms energy: -520.385060
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -95.649
flat angles C4'-P-C4' energy: -120.462
flat angles P-C4'-P energy: -73.492
tors. eta vs tors. theta energy: -126.242
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: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1693.691405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.691405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.691405 (E_RNA)
where:
Base-Base interactions energy: -1188.886
where: short stacking energy: -477.086
Base-Backbone interact. energy: -3.684
local terms energy: -501.120897
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -110.882
flat angles C4'-P-C4' energy: -109.690
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -118.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1410.174809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.174809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.174809 (E_RNA)
where:
Base-Base interactions energy: -963.623
where: short stacking energy: -421.313
Base-Backbone interact. energy: -4.485
local terms energy: -442.066568
where:
bonds (distance) C4'-P energy: -95.690
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -86.887
flat angles P-C4'-P energy: -66.002
tors. eta vs tors. theta energy: -95.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1365.527845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.527845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.527845 (E_RNA)
where:
Base-Base interactions energy: -935.701
where: short stacking energy: -397.278
Base-Backbone interact. energy: -1.829
local terms energy: -427.998352
where:
bonds (distance) C4'-P energy: -83.892
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -108.111
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: -91.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1294.474842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.474842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.474842 (E_RNA)
where:
Base-Base interactions energy: -885.869
where: short stacking energy: -367.903
Base-Backbone interact. energy: -1.990
local terms energy: -406.615303
where:
bonds (distance) C4'-P energy: -76.843
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -60.203
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: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -978.701465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.701465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.701465 (E_RNA)
where:
Base-Base interactions energy: -628.534
where: short stacking energy: -292.812
Base-Backbone interact. energy: 3.455
local terms energy: -353.622609
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -89.420
flat angles C4'-P-C4' energy: -93.556
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -51.760
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: 424
Temperature: 1.350000
Total energy: -834.658536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.658536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.658536 (E_RNA)
where:
Base-Base interactions energy: -511.011
where: short stacking energy: -227.559
Base-Backbone interact. energy: -4.830
local terms energy: -318.817631
where:
bonds (distance) C4'-P energy: -81.111
bonds (distance) P-C4' energy: -100.630
flat angles C4'-P-C4' energy: -67.628
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: -18.547
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1945.662723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.662723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.662723 (E_RNA)
where:
Base-Base interactions energy: -1359.391
where: short stacking energy: -555.744
Base-Backbone interact. energy: 2.874
local terms energy: -589.145960
where:
bonds (distance) C4'-P energy: -112.668
bonds (distance) P-C4' energy: -107.770
flat angles C4'-P-C4' energy: -126.685
flat angles P-C4'-P energy: -90.227
tors. eta vs tors. theta energy: -151.795
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1844.483931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.483931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.483931 (E_RNA)
where:
Base-Base interactions energy: -1302.478
where: short stacking energy: -533.877
Base-Backbone interact. energy: 4.869
local terms energy: -546.874864
where:
bonds (distance) C4'-P energy: -100.793
bonds (distance) P-C4' energy: -100.521
flat angles C4'-P-C4' energy: -113.611
flat angles P-C4'-P energy: -83.565
tors. eta vs tors. theta energy: -148.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1795.006848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.006848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.006848 (E_RNA)
where:
Base-Base interactions energy: -1237.418
where: short stacking energy: -521.874
Base-Backbone interact. energy: -2.118
local terms energy: -555.470447
where:
bonds (distance) C4'-P energy: -107.917
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -122.527
flat angles P-C4'-P energy: -88.521
tors. eta vs tors. theta energy: -145.154
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: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1713.105070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.105070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.105070 (E_RNA)
where:
Base-Base interactions energy: -1208.830
where: short stacking energy: -506.916
Base-Backbone interact. energy: -1.055
local terms energy: -503.220589
where:
bonds (distance) C4'-P energy: -102.647
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -109.912
flat angles P-C4'-P energy: -58.558
tors. eta vs tors. theta energy: -134.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1658.446691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.446691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.446691 (E_RNA)
where:
Base-Base interactions energy: -1165.800
where: short stacking energy: -479.806
Base-Backbone interact. energy: 2.939
local terms energy: -495.585399
where:
bonds (distance) C4'-P energy: -88.792
bonds (distance) P-C4' energy: -102.432
flat angles C4'-P-C4' energy: -116.212
flat angles P-C4'-P energy: -68.896
tors. eta vs tors. theta energy: -119.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1389.453872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.453872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.453872 (E_RNA)
where:
Base-Base interactions energy: -950.950
where: short stacking energy: -403.959
Base-Backbone interact. energy: -1.180
local terms energy: -437.323280
where:
bonds (distance) C4'-P energy: -94.794
bonds (distance) P-C4' energy: -85.908
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -102.720
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: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1433.788787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.788787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.788787 (E_RNA)
where:
Base-Base interactions energy: -1002.148
where: short stacking energy: -439.326
Base-Backbone interact. energy: -2.010
local terms energy: -429.631488
where:
bonds (distance) C4'-P energy: -81.364
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -95.553
flat angles P-C4'-P energy: -65.602
tors. eta vs tors. theta energy: -109.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1288.044926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.044926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.044926 (E_RNA)
where:
Base-Base interactions energy: -879.539
where: short stacking energy: -366.733
Base-Backbone interact. energy: -1.267
local terms energy: -407.238793
where:
bonds (distance) C4'-P energy: -87.045
bonds (distance) P-C4' energy: -98.337
flat angles C4'-P-C4' energy: -96.571
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -76.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -965.973392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.973392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.973392 (E_RNA)
where:
Base-Base interactions energy: -623.280
where: short stacking energy: -301.606
Base-Backbone interact. energy: -0.567
local terms energy: -342.126169
where:
bonds (distance) C4'-P energy: -91.469
bonds (distance) P-C4' energy: -88.658
flat angles C4'-P-C4' energy: -76.366
flat angles P-C4'-P energy: -45.411
tors. eta vs tors. theta energy: -40.223
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: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -853.976456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.976456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.976456 (E_RNA)
where:
Base-Base interactions energy: -526.565
where: short stacking energy: -235.818
Base-Backbone interact. energy: -2.589
local terms energy: -324.822950
where:
bonds (distance) C4'-P energy: -85.719
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -69.595
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -27.672
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1935.964256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.964256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.964256 (E_RNA)
where:
Base-Base interactions energy: -1367.083
where: short stacking energy: -575.842
Base-Backbone interact. energy: -0.372
local terms energy: -568.509871
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -103.099
flat angles C4'-P-C4' energy: -123.287
flat angles P-C4'-P energy: -81.548
tors. eta vs tors. theta energy: -159.410
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: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1826.317615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.317615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.317615 (E_RNA)
where:
Base-Base interactions energy: -1274.270
where: short stacking energy: -513.199
Base-Backbone interact. energy: 2.060
local terms energy: -554.107748
where:
bonds (distance) C4'-P energy: -112.369
bonds (distance) P-C4' energy: -91.850
flat angles C4'-P-C4' energy: -120.617
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -141.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1754.443524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.443524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.443524 (E_RNA)
where:
Base-Base interactions energy: -1217.620
where: short stacking energy: -512.973
Base-Backbone interact. energy: -3.499
local terms energy: -533.324849
where:
bonds (distance) C4'-P energy: -91.156
bonds (distance) P-C4' energy: -111.353
flat angles C4'-P-C4' energy: -117.043
flat angles P-C4'-P energy: -82.911
tors. eta vs tors. theta energy: -130.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1737.600434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.600434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.600434 (E_RNA)
where:
Base-Base interactions energy: -1231.055
where: short stacking energy: -534.329
Base-Backbone interact. energy: 1.095
local terms energy: -507.640378
where:
bonds (distance) C4'-P energy: -83.475
bonds (distance) P-C4' energy: -91.088
flat angles C4'-P-C4' energy: -121.771
flat angles P-C4'-P energy: -72.251
tors. eta vs tors. theta energy: -139.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1695.197989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.197989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.197989 (E_RNA)
where:
Base-Base interactions energy: -1176.826
where: short stacking energy: -494.165
Base-Backbone interact. energy: 0.736
local terms energy: -519.107949
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -106.427
flat angles C4'-P-C4' energy: -104.272
flat angles P-C4'-P energy: -81.535
tors. eta vs tors. theta energy: -123.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1470.485985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.485985 (E_RNA)
where:
Base-Base interactions energy: -999.652
where: short stacking energy: -413.626
Base-Backbone interact. energy: -1.487
local terms energy: -469.346444
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -116.889
flat angles P-C4'-P energy: -74.962
tors. eta vs tors. theta energy: -99.819
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: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1402.244189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.244189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.244189 (E_RNA)
where:
Base-Base interactions energy: -973.572
where: short stacking energy: -375.034
Base-Backbone interact. energy: -2.179
local terms energy: -426.493623
where:
bonds (distance) C4'-P energy: -94.839
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -102.840
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -92.089
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: 426
Temperature: 1.250000
Total energy: -1297.986400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.986400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.986400 (E_RNA)
where:
Base-Base interactions energy: -890.029
where: short stacking energy: -375.164
Base-Backbone interact. energy: -1.335
local terms energy: -406.622178
where:
bonds (distance) C4'-P energy: -76.368
bonds (distance) P-C4' energy: -84.813
flat angles C4'-P-C4' energy: -95.669
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: -89.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1084.711448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.711448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.711448 (E_RNA)
where:
Base-Base interactions energy: -739.925
where: short stacking energy: -318.642
Base-Backbone interact. energy: -0.474
local terms energy: -344.312798
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -81.415
flat angles C4'-P-C4' energy: -83.936
flat angles P-C4'-P energy: -50.391
tors. eta vs tors. theta energy: -44.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -826.412730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.412730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.412730 (E_RNA)
where:
Base-Base interactions energy: -479.256
where: short stacking energy: -250.284
Base-Backbone interact. energy: 2.190
local terms energy: -349.346353
where:
bonds (distance) C4'-P energy: -87.568
bonds (distance) P-C4' energy: -105.830
flat angles C4'-P-C4' energy: -90.578
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -27.244
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: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1931.449710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.449710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.449710 (E_RNA)
where:
Base-Base interactions energy: -1387.207
where: short stacking energy: -540.859
Base-Backbone interact. energy: -2.015
local terms energy: -542.228551
where:
bonds (distance) C4'-P energy: -87.378
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -83.610
tors. eta vs tors. theta energy: -149.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1852.489672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.489672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.489672 (E_RNA)
where:
Base-Base interactions energy: -1288.688
where: short stacking energy: -515.415
Base-Backbone interact. energy: -1.850
local terms energy: -561.951387
where:
bonds (distance) C4'-P energy: -106.321
bonds (distance) P-C4' energy: -104.492
flat angles C4'-P-C4' energy: -125.232
flat angles P-C4'-P energy: -84.235
tors. eta vs tors. theta energy: -141.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1750.203577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.203577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.203577 (E_RNA)
where:
Base-Base interactions energy: -1220.436
where: short stacking energy: -518.218
Base-Backbone interact. energy: -1.172
local terms energy: -528.595801
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -107.551
flat angles C4'-P-C4' energy: -120.217
flat angles P-C4'-P energy: -69.330
tors. eta vs tors. theta energy: -136.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1736.930179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.930179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.930179 (E_RNA)
where:
Base-Base interactions energy: -1238.885
where: short stacking energy: -528.251
Base-Backbone interact. energy: -3.176
local terms energy: -494.869591
where:
bonds (distance) C4'-P energy: -77.294
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -111.259
flat angles P-C4'-P energy: -70.914
tors. eta vs tors. theta energy: -133.890
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: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1665.231585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.231585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.231585 (E_RNA)
where:
Base-Base interactions energy: -1161.417
where: short stacking energy: -470.983
Base-Backbone interact. energy: 0.439
local terms energy: -504.253733
where:
bonds (distance) C4'-P energy: -99.608
bonds (distance) P-C4' energy: -101.548
flat angles C4'-P-C4' energy: -108.853
flat angles P-C4'-P energy: -76.735
tors. eta vs tors. theta energy: -117.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1456.935266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.935266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.935266 (E_RNA)
where:
Base-Base interactions energy: -1026.067
where: short stacking energy: -429.971
Base-Backbone interact. energy: 1.643
local terms energy: -432.511505
where:
bonds (distance) C4'-P energy: -79.099
bonds (distance) P-C4' energy: -70.543
flat angles C4'-P-C4' energy: -113.857
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -114.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1382.171220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.171220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.171220 (E_RNA)
where:
Base-Base interactions energy: -931.706
where: short stacking energy: -401.942
Base-Backbone interact. energy: 0.477
local terms energy: -450.941591
where:
bonds (distance) C4'-P energy: -100.748
bonds (distance) P-C4' energy: -102.688
flat angles C4'-P-C4' energy: -98.451
flat angles P-C4'-P energy: -59.275
tors. eta vs tors. theta energy: -89.780
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: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1286.647708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.647708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.647708 (E_RNA)
where:
Base-Base interactions energy: -883.040
where: short stacking energy: -395.898
Base-Backbone interact. energy: 0.751
local terms energy: -404.358306
where:
bonds (distance) C4'-P energy: -85.069
bonds (distance) P-C4' energy: -81.393
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -63.882
tors. eta vs tors. theta energy: -78.767
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: 427
Temperature: 1.300000
Total energy: -1171.557192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.557192 (E_RNA)
where:
Base-Base interactions energy: -764.883
where: short stacking energy: -325.394
Base-Backbone interact. energy: 1.979
local terms energy: -408.653003
where:
bonds (distance) C4'-P energy: -92.151
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -96.098
flat angles P-C4'-P energy: -58.877
tors. eta vs tors. theta energy: -73.872
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: 427
Temperature: 1.350000
Total energy: -851.272703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.272703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.272703 (E_RNA)
where:
Base-Base interactions energy: -530.012
where: short stacking energy: -251.745
Base-Backbone interact. energy: -1.072
local terms energy: -320.188412
where:
bonds (distance) C4'-P energy: -73.154
bonds (distance) P-C4' energy: -85.351
flat angles C4'-P-C4' energy: -77.240
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -41.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1961.326670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.326670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.326670 (E_RNA)
where:
Base-Base interactions energy: -1377.812
where: short stacking energy: -564.254
Base-Backbone interact. energy: -3.033
local terms energy: -580.481412
where:
bonds (distance) C4'-P energy: -108.404
bonds (distance) P-C4' energy: -111.226
flat angles C4'-P-C4' energy: -125.639
flat angles P-C4'-P energy: -73.153
tors. eta vs tors. theta energy: -162.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1821.923215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.923215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.923215 (E_RNA)
where:
Base-Base interactions energy: -1264.183
where: short stacking energy: -518.701
Base-Backbone interact. energy: -0.742
local terms energy: -556.998539
where:
bonds (distance) C4'-P energy: -109.267
bonds (distance) P-C4' energy: -106.414
flat angles C4'-P-C4' energy: -113.868
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -148.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1795.187019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.187019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.187019 (E_RNA)
where:
Base-Base interactions energy: -1275.446
where: short stacking energy: -542.134
Base-Backbone interact. energy: -3.371
local terms energy: -516.370278
where:
bonds (distance) C4'-P energy: -104.652
bonds (distance) P-C4' energy: -98.197
flat angles C4'-P-C4' energy: -106.427
flat angles P-C4'-P energy: -70.209
tors. eta vs tors. theta energy: -136.886
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: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1714.918690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.918690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.918690 (E_RNA)
where:
Base-Base interactions energy: -1188.835
where: short stacking energy: -498.795
Base-Backbone interact. energy: -3.776
local terms energy: -522.306961
where:
bonds (distance) C4'-P energy: -96.990
bonds (distance) P-C4' energy: -99.894
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -138.996
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: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1681.540214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.540214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.540214 (E_RNA)
where:
Base-Base interactions energy: -1198.218
where: short stacking energy: -502.104
Base-Backbone interact. energy: 0.679
local terms energy: -484.000854
where:
bonds (distance) C4'-P energy: -85.809
bonds (distance) P-C4' energy: -74.033
flat angles C4'-P-C4' energy: -112.585
flat angles P-C4'-P energy: -71.764
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: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1466.855540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.855540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.855540 (E_RNA)
where:
Base-Base interactions energy: -1029.094
where: short stacking energy: -432.574
Base-Backbone interact. energy: -0.405
local terms energy: -437.356731
where:
bonds (distance) C4'-P energy: -88.358
bonds (distance) P-C4' energy: -91.687
flat angles C4'-P-C4' energy: -94.267
flat angles P-C4'-P energy: -59.078
tors. eta vs tors. theta energy: -103.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1390.116318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.116318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.116318 (E_RNA)
where:
Base-Base interactions energy: -940.118
where: short stacking energy: -405.948
Base-Backbone interact. energy: -2.853
local terms energy: -447.145406
where:
bonds (distance) C4'-P energy: -84.923
bonds (distance) P-C4' energy: -92.393
flat angles C4'-P-C4' energy: -104.891
flat angles P-C4'-P energy: -64.708
tors. eta vs tors. theta energy: -100.231
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: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1264.943147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.943147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.943147 (E_RNA)
where:
Base-Base interactions energy: -864.050
where: short stacking energy: -371.181
Base-Backbone interact. energy: -2.588
local terms energy: -398.305339
where:
bonds (distance) C4'-P energy: -90.845
bonds (distance) P-C4' energy: -87.062
flat angles C4'-P-C4' energy: -78.492
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -75.609
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: 428
Temperature: 1.300000
Total energy: -1152.537013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.537013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.537013 (E_RNA)
where:
Base-Base interactions energy: -773.009
where: short stacking energy: -351.324
Base-Backbone interact. energy: -0.939
local terms energy: -378.589007
where:
bonds (distance) C4'-P energy: -83.058
bonds (distance) P-C4' energy: -87.156
flat angles C4'-P-C4' energy: -95.622
flat angles P-C4'-P energy: -53.275
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -804.695684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.695684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.695684 (E_RNA)
where:
Base-Base interactions energy: -503.189
where: short stacking energy: -243.137
Base-Backbone interact. energy: -2.896
local terms energy: -298.610475
where:
bonds (distance) C4'-P energy: -68.611
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1941.025442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.025442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.025442 (E_RNA)
where:
Base-Base interactions energy: -1369.674
where: short stacking energy: -556.839
Base-Backbone interact. energy: -4.218
local terms energy: -567.133880
where:
bonds (distance) C4'-P energy: -110.114
bonds (distance) P-C4' energy: -102.032
flat angles C4'-P-C4' energy: -125.579
flat angles P-C4'-P energy: -84.301
tors. eta vs tors. theta energy: -145.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1842.724328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.724328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.724328 (E_RNA)
where:
Base-Base interactions energy: -1301.143
where: short stacking energy: -540.222
Base-Backbone interact. energy: -1.130
local terms energy: -540.451271
where:
bonds (distance) C4'-P energy: -101.850
bonds (distance) P-C4' energy: -100.600
flat angles C4'-P-C4' energy: -118.417
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -149.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1761.051836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.051836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.051836 (E_RNA)
where:
Base-Base interactions energy: -1235.912
where: short stacking energy: -521.603
Base-Backbone interact. energy: -0.216
local terms energy: -524.924345
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -98.570
flat angles C4'-P-C4' energy: -104.571
flat angles P-C4'-P energy: -85.546
tors. eta vs tors. theta energy: -136.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1729.764863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.764863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.764863 (E_RNA)
where:
Base-Base interactions energy: -1202.731
where: short stacking energy: -488.359
Base-Backbone interact. energy: 0.052
local terms energy: -527.085678
where:
bonds (distance) C4'-P energy: -101.003
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -116.000
flat angles P-C4'-P energy: -83.199
tors. eta vs tors. theta energy: -136.491
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: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1663.696777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.696777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.696777 (E_RNA)
where:
Base-Base interactions energy: -1195.148
where: short stacking energy: -495.126
Base-Backbone interact. energy: -1.930
local terms energy: -466.618470
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -81.299
flat angles C4'-P-C4' energy: -106.622
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -124.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1473.003774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.003774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.003774 (E_RNA)
where:
Base-Base interactions energy: -1020.291
where: short stacking energy: -438.007
Base-Backbone interact. energy: 8.416
local terms energy: -461.128318
where:
bonds (distance) C4'-P energy: -90.310
bonds (distance) P-C4' energy: -88.827
flat angles C4'-P-C4' energy: -110.721
flat angles P-C4'-P energy: -68.178
tors. eta vs tors. theta energy: -103.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1387.291146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.291146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.291146 (E_RNA)
where:
Base-Base interactions energy: -924.504
where: short stacking energy: -382.537
Base-Backbone interact. energy: 2.450
local terms energy: -465.237063
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -84.498
flat angles C4'-P-C4' energy: -116.504
flat angles P-C4'-P energy: -77.088
tors. eta vs tors. theta energy: -91.161
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: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1162.983331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.983331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.983331 (E_RNA)
where:
Base-Base interactions energy: -794.256
where: short stacking energy: -342.013
Base-Backbone interact. energy: 2.171
local terms energy: -370.898310
where:
bonds (distance) C4'-P energy: -91.019
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -40.254
tors. eta vs tors. theta energy: -55.849
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: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1221.217038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.217038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.217038 (E_RNA)
where:
Base-Base interactions energy: -811.526
where: short stacking energy: -361.840
Base-Backbone interact. energy: 1.061
local terms energy: -410.752026
where:
bonds (distance) C4'-P energy: -89.681
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -90.365
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -75.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -849.443737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.443737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.443737 (E_RNA)
where:
Base-Base interactions energy: -508.892
where: short stacking energy: -240.703
Base-Backbone interact. energy: 0.423
local terms energy: -340.974881
where:
bonds (distance) C4'-P energy: -83.180
bonds (distance) P-C4' energy: -89.272
flat angles C4'-P-C4' energy: -84.487
flat angles P-C4'-P energy: -48.018
tors. eta vs tors. theta energy: -36.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1935.387457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.387457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.387457 (E_RNA)
where:
Base-Base interactions energy: -1382.250
where: short stacking energy: -565.877
Base-Backbone interact. energy: -3.836
local terms energy: -549.301752
where:
bonds (distance) C4'-P energy: -104.562
bonds (distance) P-C4' energy: -91.709
flat angles C4'-P-C4' energy: -125.980
flat angles P-C4'-P energy: -78.912
tors. eta vs tors. theta energy: -148.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1858.306903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.306903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.306903 (E_RNA)
where:
Base-Base interactions energy: -1294.614
where: short stacking energy: -549.430
Base-Backbone interact. energy: 0.872
local terms energy: -564.565134
where:
bonds (distance) C4'-P energy: -104.187
bonds (distance) P-C4' energy: -107.592
flat angles C4'-P-C4' energy: -118.258
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -146.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1767.160904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.160904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.160904 (E_RNA)
where:
Base-Base interactions energy: -1216.501
where: short stacking energy: -518.532
Base-Backbone interact. energy: -1.915
local terms energy: -548.744391
where:
bonds (distance) C4'-P energy: -102.267
bonds (distance) P-C4' energy: -109.744
flat angles C4'-P-C4' energy: -123.392
flat angles P-C4'-P energy: -74.235
tors. eta vs tors. theta energy: -139.106
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: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1740.176646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.176646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.176646 (E_RNA)
where:
Base-Base interactions energy: -1212.848
where: short stacking energy: -510.805
Base-Backbone interact. energy: -2.477
local terms energy: -524.851795
where:
bonds (distance) C4'-P energy: -92.764
bonds (distance) P-C4' energy: -111.444
flat angles C4'-P-C4' energy: -118.535
flat angles P-C4'-P energy: -68.412
tors. eta vs tors. theta energy: -133.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1681.124065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.124065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.124065 (E_RNA)
where:
Base-Base interactions energy: -1157.693
where: short stacking energy: -494.261
Base-Backbone interact. energy: 0.544
local terms energy: -523.975033
where:
bonds (distance) C4'-P energy: -99.206
bonds (distance) P-C4' energy: -103.046
flat angles C4'-P-C4' energy: -117.475
flat angles P-C4'-P energy: -68.351
tors. eta vs tors. theta energy: -135.897
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: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1497.154183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.154183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.154183 (E_RNA)
where:
Base-Base interactions energy: -1029.497
where: short stacking energy: -430.136
Base-Backbone interact. energy: -1.261
local terms energy: -466.395884
where:
bonds (distance) C4'-P energy: -85.714
bonds (distance) P-C4' energy: -86.197
flat angles C4'-P-C4' energy: -111.746
flat angles P-C4'-P energy: -63.701
tors. eta vs tors. theta energy: -119.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1363.890277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.890277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.890277 (E_RNA)
where:
Base-Base interactions energy: -928.267
where: short stacking energy: -386.307
Base-Backbone interact. energy: -4.233
local terms energy: -431.390304
where:
bonds (distance) C4'-P energy: -106.737
bonds (distance) P-C4' energy: -70.862
flat angles C4'-P-C4' energy: -108.980
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -92.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1183.202340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.202340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.202340 (E_RNA)
where:
Base-Base interactions energy: -760.902
where: short stacking energy: -359.439
Base-Backbone interact. energy: -0.632
local terms energy: -421.668515
where:
bonds (distance) C4'-P energy: -90.901
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -97.871
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -86.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1222.241359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.241359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.241359 (E_RNA)
where:
Base-Base interactions energy: -817.174
where: short stacking energy: -389.399
Base-Backbone interact. energy: -2.098
local terms energy: -402.969081
where:
bonds (distance) C4'-P energy: -84.547
bonds (distance) P-C4' energy: -93.968
flat angles C4'-P-C4' energy: -98.480
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: -77.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -841.011200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.011200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.011200 (E_RNA)
where:
Base-Base interactions energy: -527.173
where: short stacking energy: -257.254
Base-Backbone interact. energy: 3.061
local terms energy: -316.898623
where:
bonds (distance) C4'-P energy: -74.603
bonds (distance) P-C4' energy: -82.530
flat angles C4'-P-C4' energy: -71.342
flat angles P-C4'-P energy: -54.072
tors. eta vs tors. theta energy: -34.353
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: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1939.582694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.582694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.582694 (E_RNA)
where:
Base-Base interactions energy: -1373.178
where: short stacking energy: -555.911
Base-Backbone interact. energy: -0.886
local terms energy: -565.518524
where:
bonds (distance) C4'-P energy: -112.721
bonds (distance) P-C4' energy: -98.084
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -82.624
tors. eta vs tors. theta energy: -147.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1867.728173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.728173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.728173 (E_RNA)
where:
Base-Base interactions energy: -1324.732
where: short stacking energy: -581.904
Base-Backbone interact. energy: -1.531
local terms energy: -541.464824
where:
bonds (distance) C4'-P energy: -97.010
bonds (distance) P-C4' energy: -89.620
flat angles C4'-P-C4' energy: -118.126
flat angles P-C4'-P energy: -87.175
tors. eta vs tors. theta energy: -149.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1756.959057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.959057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.959057 (E_RNA)
where:
Base-Base interactions energy: -1231.716
where: short stacking energy: -520.990
Base-Backbone interact. energy: -2.303
local terms energy: -522.940535
where:
bonds (distance) C4'-P energy: -96.742
bonds (distance) P-C4' energy: -101.975
flat angles C4'-P-C4' energy: -124.014
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -132.632
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1736.069103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.069103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.069103 (E_RNA)
where:
Base-Base interactions energy: -1190.017
where: short stacking energy: -496.070
Base-Backbone interact. energy: -2.877
local terms energy: -543.174876
where:
bonds (distance) C4'-P energy: -101.293
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -112.660
flat angles P-C4'-P energy: -87.136
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: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1680.975317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.975317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.975317 (E_RNA)
where:
Base-Base interactions energy: -1162.736
where: short stacking energy: -471.676
Base-Backbone interact. energy: -0.608
local terms energy: -517.631759
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -86.305
flat angles C4'-P-C4' energy: -116.247
flat angles P-C4'-P energy: -83.001
tors. eta vs tors. theta energy: -124.941
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: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1493.640968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.640968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.640968 (E_RNA)
where:
Base-Base interactions energy: -1026.839
where: short stacking energy: -430.716
Base-Backbone interact. energy: -2.172
local terms energy: -464.630580
where:
bonds (distance) C4'-P energy: -92.700
bonds (distance) P-C4' energy: -103.976
flat angles C4'-P-C4' energy: -92.587
flat angles P-C4'-P energy: -76.923
tors. eta vs tors. theta energy: -98.445
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: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1393.329535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.329535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.329535 (E_RNA)
where:
Base-Base interactions energy: -955.658
where: short stacking energy: -408.558
Base-Backbone interact. energy: -0.272
local terms energy: -437.399104
where:
bonds (distance) C4'-P energy: -69.886
bonds (distance) P-C4' energy: -99.971
flat angles C4'-P-C4' energy: -99.381
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: -102.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1148.736541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.736541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.736541 (E_RNA)
where:
Base-Base interactions energy: -749.226
where: short stacking energy: -339.998
Base-Backbone interact. energy: -3.264
local terms energy: -396.246548
where:
bonds (distance) C4'-P energy: -85.365
bonds (distance) P-C4' energy: -89.276
flat angles C4'-P-C4' energy: -84.814
flat angles P-C4'-P energy: -62.083
tors. eta vs tors. theta energy: -74.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1234.098237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.098237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.098237 (E_RNA)
where:
Base-Base interactions energy: -847.152
where: short stacking energy: -348.850
Base-Backbone interact. energy: -0.717
local terms energy: -386.229781
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -81.142
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -66.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -787.153947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.153947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.153947 (E_RNA)
where:
Base-Base interactions energy: -477.573
where: short stacking energy: -237.996
Base-Backbone interact. energy: 3.397
local terms energy: -312.977728
where:
bonds (distance) C4'-P energy: -81.843
bonds (distance) P-C4' energy: -82.612
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -27.684
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: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1926.486145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.486145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.486145 (E_RNA)
where:
Base-Base interactions energy: -1360.245
where: short stacking energy: -565.123
Base-Backbone interact. energy: -2.701
local terms energy: -563.540468
where:
bonds (distance) C4'-P energy: -103.654
bonds (distance) P-C4' energy: -105.908
flat angles C4'-P-C4' energy: -119.382
flat angles P-C4'-P energy: -80.742
tors. eta vs tors. theta energy: -153.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1835.559942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.559942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.559942 (E_RNA)
where:
Base-Base interactions energy: -1281.940
where: short stacking energy: -540.023
Base-Backbone interact. energy: 1.770
local terms energy: -555.390083
where:
bonds (distance) C4'-P energy: -106.064
bonds (distance) P-C4' energy: -102.277
flat angles C4'-P-C4' energy: -115.021
flat angles P-C4'-P energy: -85.707
tors. eta vs tors. theta energy: -146.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1758.875766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.875766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.875766 (E_RNA)
where:
Base-Base interactions energy: -1209.229
where: short stacking energy: -520.944
Base-Backbone interact. energy: -0.595
local terms energy: -549.051702
where:
bonds (distance) C4'-P energy: -114.058
bonds (distance) P-C4' energy: -92.280
flat angles C4'-P-C4' energy: -122.984
flat angles P-C4'-P energy: -85.815
tors. eta vs tors. theta energy: -133.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1744.419276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.419276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.419276 (E_RNA)
where:
Base-Base interactions energy: -1213.479
where: short stacking energy: -516.358
Base-Backbone interact. energy: -1.041
local terms energy: -529.899859
where:
bonds (distance) C4'-P energy: -108.366
bonds (distance) P-C4' energy: -104.769
flat angles C4'-P-C4' energy: -116.809
flat angles P-C4'-P energy: -64.972
tors. eta vs tors. theta energy: -134.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1668.437836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.437836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.437836 (E_RNA)
where:
Base-Base interactions energy: -1160.281
where: short stacking energy: -470.616
Base-Backbone interact. energy: -2.170
local terms energy: -505.986674
where:
bonds (distance) C4'-P energy: -96.918
bonds (distance) P-C4' energy: -98.623
flat angles C4'-P-C4' energy: -105.849
flat angles P-C4'-P energy: -78.378
tors. eta vs tors. theta energy: -126.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1474.851674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.851674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.851674 (E_RNA)
where:
Base-Base interactions energy: -1007.046
where: short stacking energy: -424.089
Base-Backbone interact. energy: -2.427
local terms energy: -465.378876
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -94.741
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -76.403
tors. eta vs tors. theta energy: -101.434
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: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1443.371705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.371705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.371705 (E_RNA)
where:
Base-Base interactions energy: -999.714
where: short stacking energy: -423.409
Base-Backbone interact. energy: -0.893
local terms energy: -442.765337
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -98.502
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: -102.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1129.889658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.889658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.889658 (E_RNA)
where:
Base-Base interactions energy: -721.943
where: short stacking energy: -320.259
Base-Backbone interact. energy: -0.974
local terms energy: -406.972723
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -71.628
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: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1266.392152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.392152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.392152 (E_RNA)
where:
Base-Base interactions energy: -876.791
where: short stacking energy: -397.050
Base-Backbone interact. energy: -0.575
local terms energy: -389.026015
where:
bonds (distance) C4'-P energy: -84.557
bonds (distance) P-C4' energy: -75.546
flat angles C4'-P-C4' energy: -94.142
flat angles P-C4'-P energy: -46.295
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -805.133432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.133432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.133432 (E_RNA)
where:
Base-Base interactions energy: -503.551
where: short stacking energy: -248.085
Base-Backbone interact. energy: 2.497
local terms energy: -304.078867
where:
bonds (distance) C4'-P energy: -80.320
bonds (distance) P-C4' energy: -73.276
flat angles C4'-P-C4' energy: -78.749
flat angles P-C4'-P energy: -43.416
tors. eta vs tors. theta energy: -28.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1963.272965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.272965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.272965 (E_RNA)
where:
Base-Base interactions energy: -1393.279
where: short stacking energy: -589.127
Base-Backbone interact. energy: 3.541
local terms energy: -573.535584
where:
bonds (distance) C4'-P energy: -102.833
bonds (distance) P-C4' energy: -103.697
flat angles C4'-P-C4' energy: -122.639
flat angles P-C4'-P energy: -86.125
tors. eta vs tors. theta energy: -158.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1850.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.895107 (E_RNA)
where:
Base-Base interactions energy: -1294.919
where: short stacking energy: -550.255
Base-Backbone interact. energy: -5.026
local terms energy: -550.949977
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -103.818
flat angles C4'-P-C4' energy: -121.211
flat angles P-C4'-P energy: -71.882
tors. eta vs tors. theta energy: -150.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1770.476677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.476677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.476677 (E_RNA)
where:
Base-Base interactions energy: -1224.699
where: short stacking energy: -533.334
Base-Backbone interact. energy: -0.912
local terms energy: -544.865281
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -105.074
flat angles C4'-P-C4' energy: -130.273
flat angles P-C4'-P energy: -73.670
tors. eta vs tors. theta energy: -137.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1726.523272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.523272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.523272 (E_RNA)
where:
Base-Base interactions energy: -1188.655
where: short stacking energy: -498.106
Base-Backbone interact. energy: -2.548
local terms energy: -535.319832
where:
bonds (distance) C4'-P energy: -107.763
bonds (distance) P-C4' energy: -105.614
flat angles C4'-P-C4' energy: -113.819
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -132.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1688.180827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.180827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.180827 (E_RNA)
where:
Base-Base interactions energy: -1185.335
where: short stacking energy: -500.466
Base-Backbone interact. energy: -0.551
local terms energy: -502.294770
where:
bonds (distance) C4'-P energy: -94.944
bonds (distance) P-C4' energy: -84.079
flat angles C4'-P-C4' energy: -100.260
flat angles P-C4'-P energy: -78.318
tors. eta vs tors. theta energy: -144.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1466.721215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.721215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.721215 (E_RNA)
where:
Base-Base interactions energy: -990.875
where: short stacking energy: -422.828
Base-Backbone interact. energy: -2.507
local terms energy: -473.339378
where:
bonds (distance) C4'-P energy: -111.237
bonds (distance) P-C4' energy: -101.531
flat angles C4'-P-C4' energy: -96.240
flat angles P-C4'-P energy: -54.502
tors. eta vs tors. theta energy: -109.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1426.187448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.187448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.187448 (E_RNA)
where:
Base-Base interactions energy: -972.033
where: short stacking energy: -423.378
Base-Backbone interact. energy: -0.138
local terms energy: -454.016817
where:
bonds (distance) C4'-P energy: -77.118
bonds (distance) P-C4' energy: -92.258
flat angles C4'-P-C4' energy: -111.867
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -110.957
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: 433
Temperature: 1.250000
Total energy: -1268.209453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.209453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.209453 (E_RNA)
where:
Base-Base interactions energy: -865.303
where: short stacking energy: -360.492
Base-Backbone interact. energy: 0.494
local terms energy: -403.400237
where:
bonds (distance) C4'-P energy: -82.911
bonds (distance) P-C4' energy: -84.709
flat angles C4'-P-C4' energy: -95.170
flat angles P-C4'-P energy: -66.757
tors. eta vs tors. theta energy: -73.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1146.147006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.147006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.147006 (E_RNA)
where:
Base-Base interactions energy: -736.454
where: short stacking energy: -339.787
Base-Backbone interact. energy: -1.822
local terms energy: -407.871110
where:
bonds (distance) C4'-P energy: -88.678
bonds (distance) P-C4' energy: -93.721
flat angles C4'-P-C4' energy: -87.125
flat angles P-C4'-P energy: -63.939
tors. eta vs tors. theta energy: -74.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -824.218068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.218068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.218068 (E_RNA)
where:
Base-Base interactions energy: -494.381
where: short stacking energy: -225.791
Base-Backbone interact. energy: -0.813
local terms energy: -329.023226
where:
bonds (distance) C4'-P energy: -86.950
bonds (distance) P-C4' energy: -86.924
flat angles C4'-P-C4' energy: -81.103
flat angles P-C4'-P energy: -48.711
tors. eta vs tors. theta energy: -25.335
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: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1946.361453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.361453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.361453 (E_RNA)
where:
Base-Base interactions energy: -1371.385
where: short stacking energy: -561.766
Base-Backbone interact. energy: -4.407
local terms energy: -570.569599
where:
bonds (distance) C4'-P energy: -106.596
bonds (distance) P-C4' energy: -114.297
flat angles C4'-P-C4' energy: -122.790
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -148.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1853.568617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.568617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.568617 (E_RNA)
where:
Base-Base interactions energy: -1269.593
where: short stacking energy: -539.235
Base-Backbone interact. energy: -4.847
local terms energy: -579.128699
where:
bonds (distance) C4'-P energy: -108.461
bonds (distance) P-C4' energy: -108.059
flat angles C4'-P-C4' energy: -135.647
flat angles P-C4'-P energy: -81.715
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: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1759.994693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.994693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.994693 (E_RNA)
where:
Base-Base interactions energy: -1240.220
where: short stacking energy: -510.578
Base-Backbone interact. energy: -1.543
local terms energy: -518.230905
where:
bonds (distance) C4'-P energy: -87.076
bonds (distance) P-C4' energy: -113.602
flat angles C4'-P-C4' energy: -114.232
flat angles P-C4'-P energy: -74.061
tors. eta vs tors. theta energy: -129.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1731.128775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.128775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.128775 (E_RNA)
where:
Base-Base interactions energy: -1225.862
where: short stacking energy: -514.938
Base-Backbone interact. energy: 0.512
local terms energy: -505.778971
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -103.275
flat angles C4'-P-C4' energy: -118.798
flat angles P-C4'-P energy: -68.984
tors. eta vs tors. theta energy: -135.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1653.067449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.067449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.067449 (E_RNA)
where:
Base-Base interactions energy: -1157.654
where: short stacking energy: -470.165
Base-Backbone interact. energy: 1.728
local terms energy: -497.141161
where:
bonds (distance) C4'-P energy: -97.378
bonds (distance) P-C4' energy: -88.377
flat angles C4'-P-C4' energy: -107.475
flat angles P-C4'-P energy: -79.977
tors. eta vs tors. theta energy: -123.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1446.689615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.689615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.689615 (E_RNA)
where:
Base-Base interactions energy: -989.510
where: short stacking energy: -427.811
Base-Backbone interact. energy: -0.676
local terms energy: -456.503590
where:
bonds (distance) C4'-P energy: -102.589
bonds (distance) P-C4' energy: -79.773
flat angles C4'-P-C4' energy: -96.608
flat angles P-C4'-P energy: -66.120
tors. eta vs tors. theta energy: -111.414
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: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1484.102384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.102384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.102384 (E_RNA)
where:
Base-Base interactions energy: -1006.722
where: short stacking energy: -419.039
Base-Backbone interact. energy: -3.190
local terms energy: -474.190865
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -106.819
flat angles C4'-P-C4' energy: -109.181
flat angles P-C4'-P energy: -75.738
tors. eta vs tors. theta energy: -113.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1316.016340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.016340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.016340 (E_RNA)
where:
Base-Base interactions energy: -891.303
where: short stacking energy: -374.972
Base-Backbone interact. energy: -0.027
local terms energy: -424.685641
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -86.375
flat angles C4'-P-C4' energy: -86.489
flat angles P-C4'-P energy: -64.903
tors. eta vs tors. theta energy: -88.928
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: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1177.769127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.769127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.769127 (E_RNA)
where:
Base-Base interactions energy: -781.553
where: short stacking energy: -349.400
Base-Backbone interact. energy: 1.006
local terms energy: -397.221941
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -81.857
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -80.649
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: 434
Temperature: 1.350000
Total energy: -810.663146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.663146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.663146 (E_RNA)
where:
Base-Base interactions energy: -483.768
where: short stacking energy: -250.797
Base-Backbone interact. energy: -1.090
local terms energy: -325.805631
where:
bonds (distance) C4'-P energy: -93.211
bonds (distance) P-C4' energy: -80.000
flat angles C4'-P-C4' energy: -84.260
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -26.530
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: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1931.367160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.367160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.367160 (E_RNA)
where:
Base-Base interactions energy: -1347.455
where: short stacking energy: -563.880
Base-Backbone interact. energy: -2.973
local terms energy: -580.939359
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -131.101
flat angles P-C4'-P energy: -86.596
tors. eta vs tors. theta energy: -149.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1867.739003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.739003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.739003 (E_RNA)
where:
Base-Base interactions energy: -1279.463
where: short stacking energy: -549.921
Base-Backbone interact. energy: -6.828
local terms energy: -581.448525
where:
bonds (distance) C4'-P energy: -100.189
bonds (distance) P-C4' energy: -113.648
flat angles C4'-P-C4' energy: -131.620
flat angles P-C4'-P energy: -82.252
tors. eta vs tors. theta energy: -153.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1760.259348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.259348 (E_RNA)
where:
Base-Base interactions energy: -1247.698
where: short stacking energy: -503.572
Base-Backbone interact. energy: 0.491
local terms energy: -513.052580
where:
bonds (distance) C4'-P energy: -87.881
bonds (distance) P-C4' energy: -111.571
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -83.514
tors. eta vs tors. theta energy: -128.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1738.111292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.111292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.111292 (E_RNA)
where:
Base-Base interactions energy: -1244.188
where: short stacking energy: -514.998
Base-Backbone interact. energy: -3.546
local terms energy: -490.377387
where:
bonds (distance) C4'-P energy: -79.143
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -106.224
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -125.204
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: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1675.446157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.446157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.446157 (E_RNA)
where:
Base-Base interactions energy: -1194.006
where: short stacking energy: -484.145
Base-Backbone interact. energy: -2.634
local terms energy: -478.806165
where:
bonds (distance) C4'-P energy: -97.482
bonds (distance) P-C4' energy: -101.064
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -69.795
tors. eta vs tors. theta energy: -121.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1495.145423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.145423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.145423 (E_RNA)
where:
Base-Base interactions energy: -1024.823
where: short stacking energy: -441.587
Base-Backbone interact. energy: -1.951
local terms energy: -468.371186
where:
bonds (distance) C4'-P energy: -90.525
bonds (distance) P-C4' energy: -90.743
flat angles C4'-P-C4' energy: -104.627
flat angles P-C4'-P energy: -70.979
tors. eta vs tors. theta energy: -111.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1415.515344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.515344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.515344 (E_RNA)
where:
Base-Base interactions energy: -946.518
where: short stacking energy: -411.961
Base-Backbone interact. energy: -3.495
local terms energy: -465.502827
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -98.505
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -63.718
tors. eta vs tors. theta energy: -109.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1270.367042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.367042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.367042 (E_RNA)
where:
Base-Base interactions energy: -848.674
where: short stacking energy: -350.818
Base-Backbone interact. energy: -2.397
local terms energy: -419.296035
where:
bonds (distance) C4'-P energy: -74.102
bonds (distance) P-C4' energy: -92.106
flat angles C4'-P-C4' energy: -104.463
flat angles P-C4'-P energy: -61.254
tors. eta vs tors. theta energy: -87.371
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: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1207.220907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.220907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.220907 (E_RNA)
where:
Base-Base interactions energy: -797.543
where: short stacking energy: -353.674
Base-Backbone interact. energy: 4.047
local terms energy: -413.725366
where:
bonds (distance) C4'-P energy: -72.260
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -92.280
flat angles P-C4'-P energy: -65.132
tors. eta vs tors. theta energy: -87.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -776.644371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.644371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.644371 (E_RNA)
where:
Base-Base interactions energy: -458.177
where: short stacking energy: -218.487
Base-Backbone interact. energy: 2.143
local terms energy: -320.610249
where:
bonds (distance) C4'-P energy: -73.533
bonds (distance) P-C4' energy: -83.919
flat angles C4'-P-C4' energy: -85.875
flat angles P-C4'-P energy: -51.612
tors. eta vs tors. theta energy: -25.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1892.269581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.269581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.269581 (E_RNA)
where:
Base-Base interactions energy: -1310.416
where: short stacking energy: -553.917
Base-Backbone interact. energy: -2.257
local terms energy: -579.596345
where:
bonds (distance) C4'-P energy: -116.402
bonds (distance) P-C4' energy: -104.348
flat angles C4'-P-C4' energy: -130.805
flat angles P-C4'-P energy: -82.719
tors. eta vs tors. theta energy: -145.324
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1899.840157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.840157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.840157 (E_RNA)
where:
Base-Base interactions energy: -1337.984
where: short stacking energy: -555.134
Base-Backbone interact. energy: -4.367
local terms energy: -557.488472
where:
bonds (distance) C4'-P energy: -99.709
bonds (distance) P-C4' energy: -111.542
flat angles C4'-P-C4' energy: -117.552
flat angles P-C4'-P energy: -81.420
tors. eta vs tors. theta energy: -147.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1727.191371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.191371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.191371 (E_RNA)
where:
Base-Base interactions energy: -1201.048
where: short stacking energy: -514.172
Base-Backbone interact. energy: 2.386
local terms energy: -528.529881
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -108.825
flat angles P-C4'-P energy: -69.454
tors. eta vs tors. theta energy: -146.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1740.412978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.412978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.412978 (E_RNA)
where:
Base-Base interactions energy: -1233.077
where: short stacking energy: -496.118
Base-Backbone interact. energy: -3.082
local terms energy: -504.254276
where:
bonds (distance) C4'-P energy: -110.954
bonds (distance) P-C4' energy: -92.902
flat angles C4'-P-C4' energy: -114.655
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -116.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1693.365549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.365549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.365549 (E_RNA)
where:
Base-Base interactions energy: -1205.517
where: short stacking energy: -490.806
Base-Backbone interact. energy: 3.153
local terms energy: -491.001114
where:
bonds (distance) C4'-P energy: -69.378
bonds (distance) P-C4' energy: -101.646
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -74.919
tors. eta vs tors. theta energy: -129.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1504.691779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.691779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.691779 (E_RNA)
where:
Base-Base interactions energy: -1033.734
where: short stacking energy: -457.807
Base-Backbone interact. energy: -2.636
local terms energy: -468.321907
where:
bonds (distance) C4'-P energy: -101.936
bonds (distance) P-C4' energy: -97.138
flat angles C4'-P-C4' energy: -97.460
flat angles P-C4'-P energy: -68.110
tors. eta vs tors. theta energy: -103.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1433.001958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.001958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.001958 (E_RNA)
where:
Base-Base interactions energy: -1010.645
where: short stacking energy: -435.693
Base-Backbone interact. energy: -1.665
local terms energy: -420.691588
where:
bonds (distance) C4'-P energy: -90.540
bonds (distance) P-C4' energy: -75.022
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -104.092
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: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1288.627809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.627809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.627809 (E_RNA)
where:
Base-Base interactions energy: -878.897
where: short stacking energy: -382.146
Base-Backbone interact. energy: 5.562
local terms energy: -415.292811
where:
bonds (distance) C4'-P energy: -89.961
bonds (distance) P-C4' energy: -82.361
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: -103.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1177.685440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.685440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.685440 (E_RNA)
where:
Base-Base interactions energy: -782.789
where: short stacking energy: -347.070
Base-Backbone interact. energy: 2.471
local terms energy: -397.367315
where:
bonds (distance) C4'-P energy: -84.574
bonds (distance) P-C4' energy: -82.380
flat angles C4'-P-C4' energy: -101.081
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -74.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -780.376251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.376251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.376251 (E_RNA)
where:
Base-Base interactions energy: -452.657
where: short stacking energy: -231.239
Base-Backbone interact. energy: 1.272
local terms energy: -328.990926
where:
bonds (distance) C4'-P energy: -71.222
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -71.724
tors. eta vs tors. theta energy: -31.903
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: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1907.398515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.398515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.398515 (E_RNA)
where:
Base-Base interactions energy: -1330.439
where: short stacking energy: -568.311
Base-Backbone interact. energy: -2.310
local terms energy: -574.649089
where:
bonds (distance) C4'-P energy: -111.097
bonds (distance) P-C4' energy: -107.181
flat angles C4'-P-C4' energy: -111.897
flat angles P-C4'-P energy: -94.702
tors. eta vs tors. theta energy: -149.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1898.387058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.387058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.387058 (E_RNA)
where:
Base-Base interactions energy: -1338.348
where: short stacking energy: -544.126
Base-Backbone interact. energy: -2.902
local terms energy: -557.137060
where:
bonds (distance) C4'-P energy: -111.658
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -117.355
flat angles P-C4'-P energy: -79.587
tors. eta vs tors. theta energy: -148.740
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: 437
Temperature: 1.000000
Total energy: -1753.821092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.821092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.821092 (E_RNA)
where:
Base-Base interactions energy: -1216.036
where: short stacking energy: -503.406
Base-Backbone interact. energy: 1.981
local terms energy: -539.766037
where:
bonds (distance) C4'-P energy: -99.227
bonds (distance) P-C4' energy: -113.975
flat angles C4'-P-C4' energy: -118.849
flat angles P-C4'-P energy: -79.885
tors. eta vs tors. theta energy: -127.830
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: 437
Temperature: 1.050000
Total energy: -1722.102040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.102040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.102040 (E_RNA)
where:
Base-Base interactions energy: -1208.644
where: short stacking energy: -505.223
Base-Backbone interact. energy: -0.396
local terms energy: -513.062594
where:
bonds (distance) C4'-P energy: -106.995
bonds (distance) P-C4' energy: -75.454
flat angles C4'-P-C4' energy: -121.426
flat angles P-C4'-P energy: -72.375
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: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1655.795494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.795494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.795494 (E_RNA)
where:
Base-Base interactions energy: -1163.605
where: short stacking energy: -447.424
Base-Backbone interact. energy: -1.672
local terms energy: -490.517777
where:
bonds (distance) C4'-P energy: -96.749
bonds (distance) P-C4' energy: -95.754
flat angles C4'-P-C4' energy: -107.530
flat angles P-C4'-P energy: -69.224
tors. eta vs tors. theta energy: -121.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1494.551427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.551427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.551427 (E_RNA)
where:
Base-Base interactions energy: -1024.489
where: short stacking energy: -443.377
Base-Backbone interact. energy: -1.152
local terms energy: -468.910406
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -85.895
flat angles C4'-P-C4' energy: -109.441
flat angles P-C4'-P energy: -65.778
tors. eta vs tors. theta energy: -110.058
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: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1448.653868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.653868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.653868 (E_RNA)
where:
Base-Base interactions energy: -997.653
where: short stacking energy: -408.855
Base-Backbone interact. energy: 4.852
local terms energy: -455.852633
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -106.801
flat angles C4'-P-C4' energy: -102.495
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -96.187
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1264.737580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.737580 (E_RNA)
where:
Base-Base interactions energy: -887.452
where: short stacking energy: -361.356
Base-Backbone interact. energy: 0.144
local terms energy: -377.428886
where:
bonds (distance) C4'-P energy: -77.439
bonds (distance) P-C4' energy: -75.888
flat angles C4'-P-C4' energy: -87.074
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -78.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1135.040070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.040070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.040070 (E_RNA)
where:
Base-Base interactions energy: -744.027
where: short stacking energy: -335.932
Base-Backbone interact. energy: -3.159
local terms energy: -387.853253
where:
bonds (distance) C4'-P energy: -86.981
bonds (distance) P-C4' energy: -86.916
flat angles C4'-P-C4' energy: -89.281
flat angles P-C4'-P energy: -62.344
tors. eta vs tors. theta energy: -62.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -708.451072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.451072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.451072 (E_RNA)
where:
Base-Base interactions energy: -401.350
where: short stacking energy: -199.254
Base-Backbone interact. energy: 0.183
local terms energy: -307.283736
where:
bonds (distance) C4'-P energy: -83.601
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -37.297
tors. eta vs tors. theta energy: -6.969
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: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1941.448875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.448875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.448875 (E_RNA)
where:
Base-Base interactions energy: -1378.925
where: short stacking energy: -561.992
Base-Backbone interact. energy: -0.604
local terms energy: -561.920520
where:
bonds (distance) C4'-P energy: -101.531
bonds (distance) P-C4' energy: -108.407
flat angles C4'-P-C4' energy: -122.277
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -151.053
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1850.850386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.850386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.850386 (E_RNA)
where:
Base-Base interactions energy: -1275.074
where: short stacking energy: -535.874
Base-Backbone interact. energy: -3.679
local terms energy: -572.097533
where:
bonds (distance) C4'-P energy: -103.365
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -122.203
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -144.908
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1763.738971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.738971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.738971 (E_RNA)
where:
Base-Base interactions energy: -1255.772
where: short stacking energy: -549.869
Base-Backbone interact. energy: 1.462
local terms energy: -509.429465
where:
bonds (distance) C4'-P energy: -95.738
bonds (distance) P-C4' energy: -73.367
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -77.273
tors. eta vs tors. theta energy: -144.582
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1678.600838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.600838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.600838 (E_RNA)
where:
Base-Base interactions energy: -1182.307
where: short stacking energy: -474.995
Base-Backbone interact. energy: 0.424
local terms energy: -496.718133
where:
bonds (distance) C4'-P energy: -98.274
bonds (distance) P-C4' energy: -101.025
flat angles C4'-P-C4' energy: -102.942
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -127.784
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: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1673.249164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.249164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.249164 (E_RNA)
where:
Base-Base interactions energy: -1163.936
where: short stacking energy: -494.083
Base-Backbone interact. energy: -3.488
local terms energy: -505.826033
where:
bonds (distance) C4'-P energy: -90.626
bonds (distance) P-C4' energy: -98.905
flat angles C4'-P-C4' energy: -115.390
flat angles P-C4'-P energy: -71.912
tors. eta vs tors. theta energy: -128.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1516.192846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.192846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.192846 (E_RNA)
where:
Base-Base interactions energy: -1034.721
where: short stacking energy: -449.037
Base-Backbone interact. energy: -0.289
local terms energy: -481.182396
where:
bonds (distance) C4'-P energy: -97.221
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -68.561
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1395.357564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.357564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.357564 (E_RNA)
where:
Base-Base interactions energy: -978.666
where: short stacking energy: -401.067
Base-Backbone interact. energy: 4.568
local terms energy: -421.259794
where:
bonds (distance) C4'-P energy: -85.847
bonds (distance) P-C4' energy: -87.425
flat angles C4'-P-C4' energy: -94.972
flat angles P-C4'-P energy: -58.293
tors. eta vs tors. theta energy: -94.724
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: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1333.581197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.581197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.581197 (E_RNA)
where:
Base-Base interactions energy: -908.478
where: short stacking energy: -385.417
Base-Backbone interact. energy: -2.283
local terms energy: -422.819737
where:
bonds (distance) C4'-P energy: -94.919
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -92.534
flat angles P-C4'-P energy: -67.017
tors. eta vs tors. theta energy: -87.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1149.348755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.348755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.348755 (E_RNA)
where:
Base-Base interactions energy: -765.124
where: short stacking energy: -320.696
Base-Backbone interact. energy: -1.119
local terms energy: -383.105327
where:
bonds (distance) C4'-P energy: -96.914
bonds (distance) P-C4' energy: -78.232
flat angles C4'-P-C4' energy: -91.657
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -68.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -696.249734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.249734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.249734 (E_RNA)
where:
Base-Base interactions energy: -394.911
where: short stacking energy: -180.627
Base-Backbone interact. energy: -0.732
local terms energy: -300.606416
where:
bonds (distance) C4'-P energy: -94.114
bonds (distance) P-C4' energy: -69.658
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1971.101959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.101959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.101959 (E_RNA)
where:
Base-Base interactions energy: -1399.124
where: short stacking energy: -547.463
Base-Backbone interact. energy: -2.719
local terms energy: -569.258646
where:
bonds (distance) C4'-P energy: -105.785
bonds (distance) P-C4' energy: -104.770
flat angles C4'-P-C4' energy: -117.266
flat angles P-C4'-P energy: -85.380
tors. eta vs tors. theta energy: -156.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1836.110355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.110355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.110355 (E_RNA)
where:
Base-Base interactions energy: -1283.968
where: short stacking energy: -532.371
Base-Backbone interact. energy: -2.007
local terms energy: -550.135365
where:
bonds (distance) C4'-P energy: -108.010
bonds (distance) P-C4' energy: -99.395
flat angles C4'-P-C4' energy: -126.734
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -145.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1738.748365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.748365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.748365 (E_RNA)
where:
Base-Base interactions energy: -1231.910
where: short stacking energy: -493.881
Base-Backbone interact. energy: 0.184
local terms energy: -507.022593
where:
bonds (distance) C4'-P energy: -85.846
bonds (distance) P-C4' energy: -100.586
flat angles C4'-P-C4' energy: -107.534
flat angles P-C4'-P energy: -81.815
tors. eta vs tors. theta energy: -131.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1676.397312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.397312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.397312 (E_RNA)
where:
Base-Base interactions energy: -1169.715
where: short stacking energy: -494.071
Base-Backbone interact. energy: -0.767
local terms energy: -505.915528
where:
bonds (distance) C4'-P energy: -92.235
bonds (distance) P-C4' energy: -107.687
flat angles C4'-P-C4' energy: -107.665
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -127.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1657.907733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.907733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.907733 (E_RNA)
where:
Base-Base interactions energy: -1188.300
where: short stacking energy: -494.805
Base-Backbone interact. energy: 1.553
local terms energy: -471.160701
where:
bonds (distance) C4'-P energy: -88.961
bonds (distance) P-C4' energy: -102.703
flat angles C4'-P-C4' energy: -96.803
flat angles P-C4'-P energy: -65.193
tors. eta vs tors. theta energy: -117.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1510.091623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.091623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.091623 (E_RNA)
where:
Base-Base interactions energy: -1028.687
where: short stacking energy: -443.533
Base-Backbone interact. energy: -2.758
local terms energy: -478.646683
where:
bonds (distance) C4'-P energy: -87.824
bonds (distance) P-C4' energy: -99.478
flat angles C4'-P-C4' energy: -97.481
flat angles P-C4'-P energy: -80.672
tors. eta vs tors. theta energy: -113.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1421.299390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.299390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.299390 (E_RNA)
where:
Base-Base interactions energy: -1017.988
where: short stacking energy: -412.320
Base-Backbone interact. energy: 4.913
local terms energy: -408.224521
where:
bonds (distance) C4'-P energy: -75.182
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -96.463
flat angles P-C4'-P energy: -52.121
tors. eta vs tors. theta energy: -90.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1261.203368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.203368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.203368 (E_RNA)
where:
Base-Base interactions energy: -850.419
where: short stacking energy: -357.396
Base-Backbone interact. energy: 0.117
local terms energy: -410.900752
where:
bonds (distance) C4'-P energy: -106.321
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -87.326
flat angles P-C4'-P energy: -56.900
tors. eta vs tors. theta energy: -74.674
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: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1145.962185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.962185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.962185 (E_RNA)
where:
Base-Base interactions energy: -768.421
where: short stacking energy: -328.395
Base-Backbone interact. energy: 5.176
local terms energy: -382.717396
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -88.024
flat angles P-C4'-P energy: -51.660
tors. eta vs tors. theta energy: -66.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -733.100155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.100155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.100155 (E_RNA)
where:
Base-Base interactions energy: -415.360
where: short stacking energy: -212.303
Base-Backbone interact. energy: 0.331
local terms energy: -318.071280
where:
bonds (distance) C4'-P energy: -84.974
bonds (distance) P-C4' energy: -98.369
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1919.769951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.769951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.769951 (E_RNA)
where:
Base-Base interactions energy: -1352.686
where: short stacking energy: -535.980
Base-Backbone interact. energy: -4.261
local terms energy: -562.823807
where:
bonds (distance) C4'-P energy: -108.006
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -75.802
tors. eta vs tors. theta energy: -156.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1844.272887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.272887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.272887 (E_RNA)
where:
Base-Base interactions energy: -1309.513
where: short stacking energy: -543.082
Base-Backbone interact. energy: -3.236
local terms energy: -531.524113
where:
bonds (distance) C4'-P energy: -97.953
bonds (distance) P-C4' energy: -102.926
flat angles C4'-P-C4' energy: -108.518
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -145.964
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: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1742.270412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.270412 (E_RNA)
where:
Base-Base interactions energy: -1234.335
where: short stacking energy: -516.645
Base-Backbone interact. energy: 2.430
local terms energy: -510.365824
where:
bonds (distance) C4'-P energy: -94.814
bonds (distance) P-C4' energy: -103.999
flat angles C4'-P-C4' energy: -108.950
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -129.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1700.748656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.748656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.748656 (E_RNA)
where:
Base-Base interactions energy: -1185.762
where: short stacking energy: -481.749
Base-Backbone interact. energy: 4.319
local terms energy: -519.306136
where:
bonds (distance) C4'-P energy: -96.299
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -79.735
tors. eta vs tors. theta energy: -132.569
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: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1684.792905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.792905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.792905 (E_RNA)
where:
Base-Base interactions energy: -1190.783
where: short stacking energy: -481.964
Base-Backbone interact. energy: -1.359
local terms energy: -492.651510
where:
bonds (distance) C4'-P energy: -88.001
bonds (distance) P-C4' energy: -102.241
flat angles C4'-P-C4' energy: -107.083
flat angles P-C4'-P energy: -66.262
tors. eta vs tors. theta energy: -129.065
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: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1512.896516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.896516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.896516 (E_RNA)
where:
Base-Base interactions energy: -1044.636
where: short stacking energy: -446.659
Base-Backbone interact. energy: -0.690
local terms energy: -467.570649
where:
bonds (distance) C4'-P energy: -91.596
bonds (distance) P-C4' energy: -91.375
flat angles C4'-P-C4' energy: -102.188
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -111.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1392.673437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.673437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.673437 (E_RNA)
where:
Base-Base interactions energy: -969.049
where: short stacking energy: -427.171
Base-Backbone interact. energy: 0.481
local terms energy: -424.105112
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -91.501
flat angles C4'-P-C4' energy: -74.645
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -109.070
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: 440
Temperature: 1.250000
Total energy: -1242.783254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.783254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.783254 (E_RNA)
where:
Base-Base interactions energy: -873.185
where: short stacking energy: -365.130
Base-Backbone interact. energy: 5.294
local terms energy: -374.892406
where:
bonds (distance) C4'-P energy: -71.092
bonds (distance) P-C4' energy: -94.808
flat angles C4'-P-C4' energy: -87.088
flat angles P-C4'-P energy: -54.847
tors. eta vs tors. theta energy: -67.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1144.099536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.099536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.099536 (E_RNA)
where:
Base-Base interactions energy: -759.076
where: short stacking energy: -332.405
Base-Backbone interact. energy: -2.709
local terms energy: -382.314499
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -71.301
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -71.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -774.984572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.984572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.984572 (E_RNA)
where:
Base-Base interactions energy: -441.205
where: short stacking energy: -224.950
Base-Backbone interact. energy: -1.100
local terms energy: -332.679534
where:
bonds (distance) C4'-P energy: -97.996
bonds (distance) P-C4' energy: -93.071
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -44.170
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1932.498497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.498497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.498497 (E_RNA)
where:
Base-Base interactions energy: -1372.052
where: short stacking energy: -546.017
Base-Backbone interact. energy: -3.084
local terms energy: -557.362798
where:
bonds (distance) C4'-P energy: -103.993
bonds (distance) P-C4' energy: -105.220
flat angles C4'-P-C4' energy: -112.975
flat angles P-C4'-P energy: -91.951
tors. eta vs tors. theta energy: -143.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1839.011869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.011869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.011869 (E_RNA)
where:
Base-Base interactions energy: -1293.267
where: short stacking energy: -531.608
Base-Backbone interact. energy: -0.896
local terms energy: -544.849110
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -111.744
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -71.446
tors. eta vs tors. theta energy: -139.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1734.148415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.148415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.148415 (E_RNA)
where:
Base-Base interactions energy: -1191.714
where: short stacking energy: -500.532
Base-Backbone interact. energy: -3.575
local terms energy: -538.859339
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -107.539
flat angles C4'-P-C4' energy: -123.734
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -127.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1724.336967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.336967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.336967 (E_RNA)
where:
Base-Base interactions energy: -1210.220
where: short stacking energy: -491.200
Base-Backbone interact. energy: -1.937
local terms energy: -512.179942
where:
bonds (distance) C4'-P energy: -75.755
bonds (distance) P-C4' energy: -100.096
flat angles C4'-P-C4' energy: -123.142
flat angles P-C4'-P energy: -72.223
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: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1689.818286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.818286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.818286 (E_RNA)
where:
Base-Base interactions energy: -1193.403
where: short stacking energy: -495.616
Base-Backbone interact. energy: -2.428
local terms energy: -493.986529
where:
bonds (distance) C4'-P energy: -89.401
bonds (distance) P-C4' energy: -94.264
flat angles C4'-P-C4' energy: -110.317
flat angles P-C4'-P energy: -72.248
tors. eta vs tors. theta energy: -127.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1434.546414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.546414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.546414 (E_RNA)
where:
Base-Base interactions energy: -964.358
where: short stacking energy: -402.664
Base-Backbone interact. energy: -0.022
local terms energy: -470.166609
where:
bonds (distance) C4'-P energy: -90.019
bonds (distance) P-C4' energy: -99.551
flat angles C4'-P-C4' energy: -103.424
flat angles P-C4'-P energy: -73.378
tors. eta vs tors. theta energy: -103.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1393.948485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.948485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.948485 (E_RNA)
where:
Base-Base interactions energy: -955.365
where: short stacking energy: -394.731
Base-Backbone interact. energy: -1.389
local terms energy: -437.194681
where:
bonds (distance) C4'-P energy: -82.077
bonds (distance) P-C4' energy: -103.995
flat angles C4'-P-C4' energy: -104.972
flat angles P-C4'-P energy: -54.789
tors. eta vs tors. theta energy: -91.361
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: 441
Temperature: 1.250000
Total energy: -1302.427656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.427656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.427656 (E_RNA)
where:
Base-Base interactions energy: -866.369
where: short stacking energy: -382.599
Base-Backbone interact. energy: -0.291
local terms energy: -435.767633
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -91.306
flat angles C4'-P-C4' energy: -96.162
flat angles P-C4'-P energy: -63.047
tors. eta vs tors. theta energy: -93.254
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1131.038968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.038968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.038968 (E_RNA)
where:
Base-Base interactions energy: -758.095
where: short stacking energy: -335.373
Base-Backbone interact. energy: -2.471
local terms energy: -370.472190
where:
bonds (distance) C4'-P energy: -81.146
bonds (distance) P-C4' energy: -83.255
flat angles C4'-P-C4' energy: -85.883
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -69.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -747.603246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.603246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.603246 (E_RNA)
where:
Base-Base interactions energy: -383.833
where: short stacking energy: -198.653
Base-Backbone interact. energy: -1.232
local terms energy: -362.538239
where:
bonds (distance) C4'-P energy: -95.404
bonds (distance) P-C4' energy: -89.403
flat angles C4'-P-C4' energy: -97.641
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -22.414
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: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1957.304436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.304436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.304436 (E_RNA)
where:
Base-Base interactions energy: -1388.655
where: short stacking energy: -572.422
Base-Backbone interact. energy: -4.249
local terms energy: -564.399836
where:
bonds (distance) C4'-P energy: -105.633
bonds (distance) P-C4' energy: -98.465
flat angles C4'-P-C4' energy: -117.586
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -153.537
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1848.647925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.647925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.647925 (E_RNA)
where:
Base-Base interactions energy: -1289.318
where: short stacking energy: -529.540
Base-Backbone interact. energy: -3.224
local terms energy: -556.105856
where:
bonds (distance) C4'-P energy: -106.453
bonds (distance) P-C4' energy: -103.065
flat angles C4'-P-C4' energy: -128.057
flat angles P-C4'-P energy: -72.458
tors. eta vs tors. theta energy: -146.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1814.756656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.756656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.756656 (E_RNA)
where:
Base-Base interactions energy: -1274.013
where: short stacking energy: -542.965
Base-Backbone interact. energy: -2.466
local terms energy: -538.278516
where:
bonds (distance) C4'-P energy: -98.823
bonds (distance) P-C4' energy: -99.496
flat angles C4'-P-C4' energy: -119.876
flat angles P-C4'-P energy: -79.811
tors. eta vs tors. theta energy: -140.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1685.636069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.636069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.636069 (E_RNA)
where:
Base-Base interactions energy: -1189.788
where: short stacking energy: -478.469
Base-Backbone interact. energy: -1.355
local terms energy: -494.493396
where:
bonds (distance) C4'-P energy: -106.439
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -64.641
tors. eta vs tors. theta energy: -123.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1676.015378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.015378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.015378 (E_RNA)
where:
Base-Base interactions energy: -1170.252
where: short stacking energy: -494.138
Base-Backbone interact. energy: -2.801
local terms energy: -502.963020
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -111.738
flat angles C4'-P-C4' energy: -99.983
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -136.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1449.708233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.708233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.708233 (E_RNA)
where:
Base-Base interactions energy: -992.771
where: short stacking energy: -424.135
Base-Backbone interact. energy: -1.691
local terms energy: -455.246415
where:
bonds (distance) C4'-P energy: -84.866
bonds (distance) P-C4' energy: -105.837
flat angles C4'-P-C4' energy: -100.438
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -94.432
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: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1387.202456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.202456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.202456 (E_RNA)
where:
Base-Base interactions energy: -924.726
where: short stacking energy: -390.356
Base-Backbone interact. energy: -3.372
local terms energy: -459.104424
where:
bonds (distance) C4'-P energy: -97.294
bonds (distance) P-C4' energy: -100.391
flat angles C4'-P-C4' energy: -97.365
flat angles P-C4'-P energy: -66.252
tors. eta vs tors. theta energy: -97.802
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1280.990195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.990195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.990195 (E_RNA)
where:
Base-Base interactions energy: -885.596
where: short stacking energy: -390.141
Base-Backbone interact. energy: 1.332
local terms energy: -396.726323
where:
bonds (distance) C4'-P energy: -77.980
bonds (distance) P-C4' energy: -90.288
flat angles C4'-P-C4' energy: -78.350
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -88.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1119.622858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.622858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.622858 (E_RNA)
where:
Base-Base interactions energy: -721.565
where: short stacking energy: -327.507
Base-Backbone interact. energy: -1.046
local terms energy: -397.011983
where:
bonds (distance) C4'-P energy: -79.542
bonds (distance) P-C4' energy: -90.746
flat angles C4'-P-C4' energy: -98.437
flat angles P-C4'-P energy: -59.912
tors. eta vs tors. theta energy: -68.376
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: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -723.549588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.549588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.549588 (E_RNA)
where:
Base-Base interactions energy: -419.740
where: short stacking energy: -208.921
Base-Backbone interact. energy: -1.412
local terms energy: -302.397539
where:
bonds (distance) C4'-P energy: -88.216
bonds (distance) P-C4' energy: -82.405
flat angles C4'-P-C4' energy: -72.440
flat angles P-C4'-P energy: -47.415
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1950.026172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.026172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.026172 (E_RNA)
where:
Base-Base interactions energy: -1372.234
where: short stacking energy: -562.219
Base-Backbone interact. energy: -4.104
local terms energy: -573.688572
where:
bonds (distance) C4'-P energy: -110.490
bonds (distance) P-C4' energy: -108.829
flat angles C4'-P-C4' energy: -115.628
flat angles P-C4'-P energy: -84.051
tors. eta vs tors. theta energy: -154.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1855.543052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.543052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.543052 (E_RNA)
where:
Base-Base interactions energy: -1281.725
where: short stacking energy: -524.547
Base-Backbone interact. energy: -4.863
local terms energy: -568.954964
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -107.820
flat angles C4'-P-C4' energy: -123.428
flat angles P-C4'-P energy: -85.710
tors. eta vs tors. theta energy: -145.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1780.056632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.056632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.056632 (E_RNA)
where:
Base-Base interactions energy: -1221.440
where: short stacking energy: -517.638
Base-Backbone interact. energy: -2.974
local terms energy: -555.642296
where:
bonds (distance) C4'-P energy: -113.321
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -112.946
flat angles P-C4'-P energy: -82.832
tors. eta vs tors. theta energy: -132.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1678.548583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.548583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.548583 (E_RNA)
where:
Base-Base interactions energy: -1173.847
where: short stacking energy: -491.025
Base-Backbone interact. energy: -1.853
local terms energy: -502.849284
where:
bonds (distance) C4'-P energy: -89.855
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -117.070
flat angles P-C4'-P energy: -72.127
tors. eta vs tors. theta energy: -123.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1647.097619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.097619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.097619 (E_RNA)
where:
Base-Base interactions energy: -1161.794
where: short stacking energy: -459.993
Base-Backbone interact. energy: 0.569
local terms energy: -485.872547
where:
bonds (distance) C4'-P energy: -89.641
bonds (distance) P-C4' energy: -103.983
flat angles C4'-P-C4' energy: -107.382
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -112.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1458.730835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.730835 (E_RNA)
where:
Base-Base interactions energy: -988.250
where: short stacking energy: -443.450
Base-Backbone interact. energy: 1.109
local terms energy: -471.590360
where:
bonds (distance) C4'-P energy: -94.684
bonds (distance) P-C4' energy: -90.573
flat angles C4'-P-C4' energy: -101.225
flat angles P-C4'-P energy: -66.347
tors. eta vs tors. theta energy: -118.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1378.863887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.863887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.863887 (E_RNA)
where:
Base-Base interactions energy: -910.591
where: short stacking energy: -406.859
Base-Backbone interact. energy: -1.103
local terms energy: -467.169634
where:
bonds (distance) C4'-P energy: -99.507
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -98.618
flat angles P-C4'-P energy: -75.751
tors. eta vs tors. theta energy: -100.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1274.083544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.083544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.083544 (E_RNA)
where:
Base-Base interactions energy: -853.020
where: short stacking energy: -376.373
Base-Backbone interact. energy: 1.319
local terms energy: -422.382151
where:
bonds (distance) C4'-P energy: -91.664
bonds (distance) P-C4' energy: -93.367
flat angles C4'-P-C4' energy: -92.260
flat angles P-C4'-P energy: -69.106
tors. eta vs tors. theta energy: -75.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1072.120194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.120194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.120194 (E_RNA)
where:
Base-Base interactions energy: -712.502
where: short stacking energy: -303.802
Base-Backbone interact. energy: -0.913
local terms energy: -358.705283
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -81.664
flat angles C4'-P-C4' energy: -80.713
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -62.683
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: 443
Temperature: 1.350000
Total energy: -685.372901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.372901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.372901 (E_RNA)
where:
Base-Base interactions energy: -390.270
where: short stacking energy: -187.406
Base-Backbone interact. energy: 1.172
local terms energy: -296.274291
where:
bonds (distance) C4'-P energy: -94.876
bonds (distance) P-C4' energy: -79.795
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1950.383578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.383578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.383578 (E_RNA)
where:
Base-Base interactions energy: -1368.495
where: short stacking energy: -563.540
Base-Backbone interact. energy: -1.221
local terms energy: -580.667303
where:
bonds (distance) C4'-P energy: -98.812
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -127.048
flat angles P-C4'-P energy: -84.465
tors. eta vs tors. theta energy: -159.156
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: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1846.544544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.544544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.544544 (E_RNA)
where:
Base-Base interactions energy: -1292.310
where: short stacking energy: -548.055
Base-Backbone interact. energy: -0.716
local terms energy: -553.518285
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -108.096
flat angles C4'-P-C4' energy: -109.524
flat angles P-C4'-P energy: -83.338
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: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1819.906866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.906866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.906866 (E_RNA)
where:
Base-Base interactions energy: -1263.422
where: short stacking energy: -515.024
Base-Backbone interact. energy: -3.397
local terms energy: -553.087767
where:
bonds (distance) C4'-P energy: -114.905
bonds (distance) P-C4' energy: -109.008
flat angles C4'-P-C4' energy: -114.747
flat angles P-C4'-P energy: -71.622
tors. eta vs tors. theta energy: -142.807
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: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1677.034977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.034977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.034977 (E_RNA)
where:
Base-Base interactions energy: -1172.197
where: short stacking energy: -503.295
Base-Backbone interact. energy: 5.969
local terms energy: -510.806971
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -109.041
flat angles P-C4'-P energy: -69.183
tors. eta vs tors. theta energy: -140.867
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: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1639.773871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.773871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.773871 (E_RNA)
where:
Base-Base interactions energy: -1146.385
where: short stacking energy: -490.512
Base-Backbone interact. energy: 3.976
local terms energy: -497.364753
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -94.557
flat angles C4'-P-C4' energy: -114.789
flat angles P-C4'-P energy: -67.285
tors. eta vs tors. theta energy: -130.866
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: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1427.993694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.993694 (E_RNA)
where:
Base-Base interactions energy: -945.906
where: short stacking energy: -431.698
Base-Backbone interact. energy: -0.068
local terms energy: -482.019690
where:
bonds (distance) C4'-P energy: -82.988
bonds (distance) P-C4' energy: -96.019
flat angles C4'-P-C4' energy: -117.649
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -117.377
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: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1383.649562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.649562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.649562 (E_RNA)
where:
Base-Base interactions energy: -945.797
where: short stacking energy: -407.700
Base-Backbone interact. energy: -1.841
local terms energy: -436.010814
where:
bonds (distance) C4'-P energy: -78.336
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -112.630
flat angles P-C4'-P energy: -59.149
tors. eta vs tors. theta energy: -89.036
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1252.129553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.129553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.129553 (E_RNA)
where:
Base-Base interactions energy: -847.391
where: short stacking energy: -357.354
Base-Backbone interact. energy: -1.763
local terms energy: -402.975442
where:
bonds (distance) C4'-P energy: -80.569
bonds (distance) P-C4' energy: -76.329
flat angles C4'-P-C4' energy: -104.127
flat angles P-C4'-P energy: -65.885
tors. eta vs tors. theta energy: -76.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1164.502180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.502180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.502180 (E_RNA)
where:
Base-Base interactions energy: -767.610
where: short stacking energy: -343.764
Base-Backbone interact. energy: -0.132
local terms energy: -396.759528
where:
bonds (distance) C4'-P energy: -72.735
bonds (distance) P-C4' energy: -91.230
flat angles C4'-P-C4' energy: -97.849
flat angles P-C4'-P energy: -60.222
tors. eta vs tors. theta energy: -74.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -755.112333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.112333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.112333 (E_RNA)
where:
Base-Base interactions energy: -434.164
where: short stacking energy: -229.946
Base-Backbone interact. energy: -0.098
local terms energy: -320.850411
where:
bonds (distance) C4'-P energy: -69.833
bonds (distance) P-C4' energy: -86.422
flat angles C4'-P-C4' energy: -94.152
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1932.594143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.594143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.594143 (E_RNA)
where:
Base-Base interactions energy: -1356.321
where: short stacking energy: -553.016
Base-Backbone interact. energy: -5.401
local terms energy: -570.871837
where:
bonds (distance) C4'-P energy: -106.447
bonds (distance) P-C4' energy: -113.816
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -151.706
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: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1849.726235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.726235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.726235 (E_RNA)
where:
Base-Base interactions energy: -1291.924
where: short stacking energy: -534.395
Base-Backbone interact. energy: 2.594
local terms energy: -560.395286
where:
bonds (distance) C4'-P energy: -113.188
bonds (distance) P-C4' energy: -109.129
flat angles C4'-P-C4' energy: -124.424
flat angles P-C4'-P energy: -74.496
tors. eta vs tors. theta energy: -139.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1800.238305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.238305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.238305 (E_RNA)
where:
Base-Base interactions energy: -1242.862
where: short stacking energy: -545.194
Base-Backbone interact. energy: -3.129
local terms energy: -554.246871
where:
bonds (distance) C4'-P energy: -116.555
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -109.739
flat angles P-C4'-P energy: -77.560
tors. eta vs tors. theta energy: -150.952
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1676.951231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.951231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.951231 (E_RNA)
where:
Base-Base interactions energy: -1193.717
where: short stacking energy: -487.760
Base-Backbone interact. energy: -2.562
local terms energy: -480.672934
where:
bonds (distance) C4'-P energy: -98.829
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -114.302
flat angles P-C4'-P energy: -59.700
tors. eta vs tors. theta energy: -118.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1636.491961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.491961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.491961 (E_RNA)
where:
Base-Base interactions energy: -1153.175
where: short stacking energy: -468.710
Base-Backbone interact. energy: 0.142
local terms energy: -483.459476
where:
bonds (distance) C4'-P energy: -85.162
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -110.082
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -117.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1453.059572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.059572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.059572 (E_RNA)
where:
Base-Base interactions energy: -982.919
where: short stacking energy: -426.456
Base-Backbone interact. energy: -4.235
local terms energy: -465.905138
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -88.685
flat angles C4'-P-C4' energy: -107.015
flat angles P-C4'-P energy: -67.772
tors. eta vs tors. theta energy: -111.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1342.125857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.125857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.125857 (E_RNA)
where:
Base-Base interactions energy: -911.802
where: short stacking energy: -409.077
Base-Backbone interact. energy: -1.639
local terms energy: -428.684220
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -100.503
flat angles C4'-P-C4' energy: -103.608
flat angles P-C4'-P energy: -54.605
tors. eta vs tors. theta energy: -90.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1214.511441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.511441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.511441 (E_RNA)
where:
Base-Base interactions energy: -804.045
where: short stacking energy: -355.585
Base-Backbone interact. energy: -2.827
local terms energy: -407.639490
where:
bonds (distance) C4'-P energy: -88.820
bonds (distance) P-C4' energy: -106.489
flat angles C4'-P-C4' energy: -88.252
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -70.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1154.561128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.561128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.561128 (E_RNA)
where:
Base-Base interactions energy: -774.048
where: short stacking energy: -331.373
Base-Backbone interact. energy: 3.488
local terms energy: -384.000587
where:
bonds (distance) C4'-P energy: -89.280
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -95.330
flat angles P-C4'-P energy: -49.205
tors. eta vs tors. theta energy: -72.348
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: 445
Temperature: 1.350000
Total energy: -706.274867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.274867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.274867 (E_RNA)
where:
Base-Base interactions energy: -401.974
where: short stacking energy: -196.879
Base-Backbone interact. energy: 0.048
local terms energy: -304.348927
where:
bonds (distance) C4'-P energy: -89.655
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -51.833
tors. eta vs tors. theta energy: -14.073
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1957.570349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.570349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.570349 (E_RNA)
where:
Base-Base interactions energy: -1388.931
where: short stacking energy: -580.845
Base-Backbone interact. energy: -3.587
local terms energy: -565.052582
where:
bonds (distance) C4'-P energy: -101.885
bonds (distance) P-C4' energy: -116.709
flat angles C4'-P-C4' energy: -118.054
flat angles P-C4'-P energy: -68.734
tors. eta vs tors. theta energy: -159.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1859.539753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.539753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.539753 (E_RNA)
where:
Base-Base interactions energy: -1304.646
where: short stacking energy: -555.532
Base-Backbone interact. energy: -4.408
local terms energy: -550.486237
where:
bonds (distance) C4'-P energy: -92.907
bonds (distance) P-C4' energy: -97.089
flat angles C4'-P-C4' energy: -123.004
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -148.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1809.766054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.766054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.766054 (E_RNA)
where:
Base-Base interactions energy: -1272.057
where: short stacking energy: -538.617
Base-Backbone interact. energy: -0.903
local terms energy: -536.805515
where:
bonds (distance) C4'-P energy: -101.314
bonds (distance) P-C4' energy: -96.209
flat angles C4'-P-C4' energy: -112.860
flat angles P-C4'-P energy: -77.553
tors. eta vs tors. theta energy: -148.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1704.264679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.264679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.264679 (E_RNA)
where:
Base-Base interactions energy: -1175.213
where: short stacking energy: -503.244
Base-Backbone interact. energy: -4.071
local terms energy: -524.980424
where:
bonds (distance) C4'-P energy: -107.908
bonds (distance) P-C4' energy: -111.767
flat angles C4'-P-C4' energy: -114.894
flat angles P-C4'-P energy: -65.260
tors. eta vs tors. theta energy: -125.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1608.820585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.820585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.820585 (E_RNA)
where:
Base-Base interactions energy: -1126.183
where: short stacking energy: -449.030
Base-Backbone interact. energy: -2.728
local terms energy: -479.909508
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -101.581
flat angles C4'-P-C4' energy: -111.865
flat angles P-C4'-P energy: -69.050
tors. eta vs tors. theta energy: -106.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1456.812073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.812073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.812073 (E_RNA)
where:
Base-Base interactions energy: -1010.833
where: short stacking energy: -445.916
Base-Backbone interact. energy: -1.504
local terms energy: -444.474418
where:
bonds (distance) C4'-P energy: -83.779
bonds (distance) P-C4' energy: -92.644
flat angles C4'-P-C4' energy: -102.943
flat angles P-C4'-P energy: -58.617
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: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1363.847733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.847733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.847733 (E_RNA)
where:
Base-Base interactions energy: -961.118
where: short stacking energy: -418.888
Base-Backbone interact. energy: 5.515
local terms energy: -408.245172
where:
bonds (distance) C4'-P energy: -85.220
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -97.976
flat angles P-C4'-P energy: -58.568
tors. eta vs tors. theta energy: -100.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1257.955082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.955082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.955082 (E_RNA)
where:
Base-Base interactions energy: -875.560
where: short stacking energy: -355.879
Base-Backbone interact. energy: 3.236
local terms energy: -385.631236
where:
bonds (distance) C4'-P energy: -71.589
bonds (distance) P-C4' energy: -96.844
flat angles C4'-P-C4' energy: -96.656
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -81.044
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: 446
Temperature: 1.300000
Total energy: -1128.720079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.720079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.720079 (E_RNA)
where:
Base-Base interactions energy: -741.009
where: short stacking energy: -318.360
Base-Backbone interact. energy: -2.990
local terms energy: -384.721080
where:
bonds (distance) C4'-P energy: -81.356
bonds (distance) P-C4' energy: -89.973
flat angles C4'-P-C4' energy: -84.335
flat angles P-C4'-P energy: -67.808
tors. eta vs tors. theta energy: -61.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -762.787160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.787160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.787160 (E_RNA)
where:
Base-Base interactions energy: -451.726
where: short stacking energy: -235.493
Base-Backbone interact. energy: -2.553
local terms energy: -308.508488
where:
bonds (distance) C4'-P energy: -73.381
bonds (distance) P-C4' energy: -94.373
flat angles C4'-P-C4' energy: -74.207
flat angles P-C4'-P energy: -47.840
tors. eta vs tors. theta energy: -18.707
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: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1933.355155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.355155 (E_RNA)
where:
Base-Base interactions energy: -1386.486
where: short stacking energy: -572.548
Base-Backbone interact. energy: -4.130
local terms energy: -542.739152
where:
bonds (distance) C4'-P energy: -94.255
bonds (distance) P-C4' energy: -108.557
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -153.245
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: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1849.296471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.296471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.296471 (E_RNA)
where:
Base-Base interactions energy: -1292.828
where: short stacking energy: -536.226
Base-Backbone interact. energy: 2.186
local terms energy: -558.654485
where:
bonds (distance) C4'-P energy: -100.650
bonds (distance) P-C4' energy: -106.875
flat angles C4'-P-C4' energy: -128.047
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -147.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1788.865763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.865763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.865763 (E_RNA)
where:
Base-Base interactions energy: -1254.807
where: short stacking energy: -525.159
Base-Backbone interact. energy: 4.402
local terms energy: -538.460921
where:
bonds (distance) C4'-P energy: -96.056
bonds (distance) P-C4' energy: -108.468
flat angles C4'-P-C4' energy: -110.142
flat angles P-C4'-P energy: -80.382
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: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1691.518299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.518299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.518299 (E_RNA)
where:
Base-Base interactions energy: -1193.815
where: short stacking energy: -474.873
Base-Backbone interact. energy: -5.459
local terms energy: -492.244914
where:
bonds (distance) C4'-P energy: -92.720
bonds (distance) P-C4' energy: -101.661
flat angles C4'-P-C4' energy: -106.296
flat angles P-C4'-P energy: -68.877
tors. eta vs tors. theta energy: -122.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1620.641705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.641705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.641705 (E_RNA)
where:
Base-Base interactions energy: -1143.218
where: short stacking energy: -465.952
Base-Backbone interact. energy: -3.132
local terms energy: -474.291668
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -91.168
flat angles C4'-P-C4' energy: -107.258
flat angles P-C4'-P energy: -70.237
tors. eta vs tors. theta energy: -110.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1421.600343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.600343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.600343 (E_RNA)
where:
Base-Base interactions energy: -950.849
where: short stacking energy: -405.233
Base-Backbone interact. energy: -0.600
local terms energy: -470.151861
where:
bonds (distance) C4'-P energy: -104.912
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -103.305
flat angles P-C4'-P energy: -70.434
tors. eta vs tors. theta energy: -112.107
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: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1391.804126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.804126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.804126 (E_RNA)
where:
Base-Base interactions energy: -936.071
where: short stacking energy: -396.701
Base-Backbone interact. energy: 0.293
local terms energy: -456.026359
where:
bonds (distance) C4'-P energy: -90.536
bonds (distance) P-C4' energy: -94.493
flat angles C4'-P-C4' energy: -108.338
flat angles P-C4'-P energy: -67.575
tors. eta vs tors. theta energy: -95.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1256.689201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.689201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.689201 (E_RNA)
where:
Base-Base interactions energy: -847.954
where: short stacking energy: -391.150
Base-Backbone interact. energy: 2.786
local terms energy: -411.520250
where:
bonds (distance) C4'-P energy: -92.621
bonds (distance) P-C4' energy: -79.770
flat angles C4'-P-C4' energy: -100.858
flat angles P-C4'-P energy: -54.999
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1180.730747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.730747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.730747 (E_RNA)
where:
Base-Base interactions energy: -795.111
where: short stacking energy: -334.138
Base-Backbone interact. energy: 0.666
local terms energy: -386.286153
where:
bonds (distance) C4'-P energy: -71.703
bonds (distance) P-C4' energy: -88.829
flat angles C4'-P-C4' energy: -89.558
flat angles P-C4'-P energy: -62.245
tors. eta vs tors. theta energy: -73.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -714.363790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.363790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.363790 (E_RNA)
where:
Base-Base interactions energy: -415.233
where: short stacking energy: -213.445
Base-Backbone interact. energy: -1.352
local terms energy: -297.778401
where:
bonds (distance) C4'-P energy: -82.866
bonds (distance) P-C4' energy: -100.984
flat angles C4'-P-C4' energy: -73.397
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1948.391172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.391172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.391172 (E_RNA)
where:
Base-Base interactions energy: -1385.651
where: short stacking energy: -570.557
Base-Backbone interact. energy: 1.270
local terms energy: -564.010154
where:
bonds (distance) C4'-P energy: -113.417
bonds (distance) P-C4' energy: -108.350
flat angles C4'-P-C4' energy: -125.452
flat angles P-C4'-P energy: -74.713
tors. eta vs tors. theta energy: -142.079
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: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1840.903986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.903986 (E_RNA)
where:
Base-Base interactions energy: -1262.084
where: short stacking energy: -541.848
Base-Backbone interact. energy: -0.531
local terms energy: -578.288714
where:
bonds (distance) C4'-P energy: -104.901
bonds (distance) P-C4' energy: -116.497
flat angles C4'-P-C4' energy: -120.844
flat angles P-C4'-P energy: -84.494
tors. eta vs tors. theta energy: -151.552
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: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1799.136245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.136245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.136245 (E_RNA)
where:
Base-Base interactions energy: -1269.534
where: short stacking energy: -531.586
Base-Backbone interact. energy: -3.572
local terms energy: -526.030110
where:
bonds (distance) C4'-P energy: -97.477
bonds (distance) P-C4' energy: -104.412
flat angles C4'-P-C4' energy: -112.503
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -141.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1724.656273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.656273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.656273 (E_RNA)
where:
Base-Base interactions energy: -1211.064
where: short stacking energy: -480.845
Base-Backbone interact. energy: -1.547
local terms energy: -512.045202
where:
bonds (distance) C4'-P energy: -90.822
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -121.922
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -129.127
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: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1587.350701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.350701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.350701 (E_RNA)
where:
Base-Base interactions energy: -1111.695
where: short stacking energy: -448.469
Base-Backbone interact. energy: -3.844
local terms energy: -471.811770
where:
bonds (distance) C4'-P energy: -91.510
bonds (distance) P-C4' energy: -98.179
flat angles C4'-P-C4' energy: -110.806
flat angles P-C4'-P energy: -63.772
tors. eta vs tors. theta energy: -107.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1412.152789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.152789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.152789 (E_RNA)
where:
Base-Base interactions energy: -960.212
where: short stacking energy: -426.508
Base-Backbone interact. energy: 0.927
local terms energy: -452.867138
where:
bonds (distance) C4'-P energy: -88.188
bonds (distance) P-C4' energy: -97.616
flat angles C4'-P-C4' energy: -104.461
flat angles P-C4'-P energy: -60.216
tors. eta vs tors. theta energy: -102.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1410.135472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.135472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.135472 (E_RNA)
where:
Base-Base interactions energy: -959.109
where: short stacking energy: -408.962
Base-Backbone interact. energy: 5.294
local terms energy: -456.320840
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -91.762
flat angles C4'-P-C4' energy: -106.157
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -107.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1270.080495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.080495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.080495 (E_RNA)
where:
Base-Base interactions energy: -849.972
where: short stacking energy: -369.872
Base-Backbone interact. energy: -0.576
local terms energy: -419.532449
where:
bonds (distance) C4'-P energy: -84.461
bonds (distance) P-C4' energy: -102.929
flat angles C4'-P-C4' energy: -99.033
flat angles P-C4'-P energy: -57.412
tors. eta vs tors. theta energy: -75.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1166.491344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.491344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.491344 (E_RNA)
where:
Base-Base interactions energy: -794.454
where: short stacking energy: -343.980
Base-Backbone interact. energy: -0.755
local terms energy: -371.283177
where:
bonds (distance) C4'-P energy: -80.573
bonds (distance) P-C4' energy: -74.037
flat angles C4'-P-C4' energy: -86.986
flat angles P-C4'-P energy: -57.086
tors. eta vs tors. theta energy: -72.602
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -633.481835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.481835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.481835 (E_RNA)
where:
Base-Base interactions energy: -334.222
where: short stacking energy: -186.581
Base-Backbone interact. energy: 1.589
local terms energy: -300.848417
where:
bonds (distance) C4'-P energy: -93.131
bonds (distance) P-C4' energy: -96.020
flat angles C4'-P-C4' energy: -74.350
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1948.511942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.511942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.511942 (E_RNA)
where:
Base-Base interactions energy: -1394.801
where: short stacking energy: -543.661
Base-Backbone interact. energy: -4.948
local terms energy: -548.762793
where:
bonds (distance) C4'-P energy: -101.195
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -116.173
flat angles P-C4'-P energy: -74.153
tors. eta vs tors. theta energy: -143.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1852.504469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.504469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.504469 (E_RNA)
where:
Base-Base interactions energy: -1285.612
where: short stacking energy: -549.133
Base-Backbone interact. energy: 0.082
local terms energy: -566.974767
where:
bonds (distance) C4'-P energy: -104.275
bonds (distance) P-C4' energy: -98.295
flat angles C4'-P-C4' energy: -124.434
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -158.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1804.408986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.408986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.408986 (E_RNA)
where:
Base-Base interactions energy: -1277.076
where: short stacking energy: -514.351
Base-Backbone interact. energy: -1.284
local terms energy: -526.048779
where:
bonds (distance) C4'-P energy: -104.166
bonds (distance) P-C4' energy: -105.809
flat angles C4'-P-C4' energy: -117.928
flat angles P-C4'-P energy: -66.364
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: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1720.333714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.333714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.333714 (E_RNA)
where:
Base-Base interactions energy: -1219.980
where: short stacking energy: -484.458
Base-Backbone interact. energy: -2.468
local terms energy: -497.886112
where:
bonds (distance) C4'-P energy: -84.488
bonds (distance) P-C4' energy: -108.845
flat angles C4'-P-C4' energy: -113.334
flat angles P-C4'-P energy: -66.232
tors. eta vs tors. theta energy: -124.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1642.586297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.586297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.586297 (E_RNA)
where:
Base-Base interactions energy: -1164.728
where: short stacking energy: -473.574
Base-Backbone interact. energy: -1.956
local terms energy: -475.902370
where:
bonds (distance) C4'-P energy: -81.131
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -111.044
flat angles P-C4'-P energy: -76.591
tors. eta vs tors. theta energy: -126.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1409.623980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.623980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.623980 (E_RNA)
where:
Base-Base interactions energy: -969.014
where: short stacking energy: -418.310
Base-Backbone interact. energy: -2.979
local terms energy: -437.631671
where:
bonds (distance) C4'-P energy: -87.222
bonds (distance) P-C4' energy: -90.909
flat angles C4'-P-C4' energy: -95.470
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -93.982
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: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1371.771131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.771131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.771131 (E_RNA)
where:
Base-Base interactions energy: -957.696
where: short stacking energy: -389.265
Base-Backbone interact. energy: 1.089
local terms energy: -415.164299
where:
bonds (distance) C4'-P energy: -82.549
bonds (distance) P-C4' energy: -94.790
flat angles C4'-P-C4' energy: -90.294
flat angles P-C4'-P energy: -52.771
tors. eta vs tors. theta energy: -94.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1266.528041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.528041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.528041 (E_RNA)
where:
Base-Base interactions energy: -832.321
where: short stacking energy: -356.730
Base-Backbone interact. energy: 4.416
local terms energy: -438.623163
where:
bonds (distance) C4'-P energy: -89.312
bonds (distance) P-C4' energy: -102.107
flat angles C4'-P-C4' energy: -99.865
flat angles P-C4'-P energy: -66.954
tors. eta vs tors. theta energy: -80.386
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: 449
Temperature: 1.300000
Total energy: -1105.954766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.954766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.954766 (E_RNA)
where:
Base-Base interactions energy: -752.660
where: short stacking energy: -325.300
Base-Backbone interact. energy: 6.974
local terms energy: -360.269335
where:
bonds (distance) C4'-P energy: -89.771
bonds (distance) P-C4' energy: -83.994
flat angles C4'-P-C4' energy: -88.265
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: -47.265
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: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -644.771454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.771454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.771454 (E_RNA)
where:
Base-Base interactions energy: -338.476
where: short stacking energy: -184.075
Base-Backbone interact. energy: 4.459
local terms energy: -310.754357
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -73.002
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1953.219182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.219182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.219182 (E_RNA)
where:
Base-Base interactions energy: -1396.381
where: short stacking energy: -559.946
Base-Backbone interact. energy: -2.381
local terms energy: -554.456818
where:
bonds (distance) C4'-P energy: -106.063
bonds (distance) P-C4' energy: -101.730
flat angles C4'-P-C4' energy: -119.568
flat angles P-C4'-P energy: -78.450
tors. eta vs tors. theta energy: -148.646
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: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1848.053725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.053725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.053725 (E_RNA)
where:
Base-Base interactions energy: -1311.856
where: short stacking energy: -546.541
Base-Backbone interact. energy: -0.368
local terms energy: -535.829911
where:
bonds (distance) C4'-P energy: -96.370
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -130.779
flat angles P-C4'-P energy: -69.754
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: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1807.597953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.597953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.597953 (E_RNA)
where:
Base-Base interactions energy: -1282.361
where: short stacking energy: -523.452
Base-Backbone interact. energy: -0.488
local terms energy: -524.749590
where:
bonds (distance) C4'-P energy: -105.778
bonds (distance) P-C4' energy: -99.547
flat angles C4'-P-C4' energy: -105.864
flat angles P-C4'-P energy: -79.668
tors. eta vs tors. theta energy: -133.893
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: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1742.435864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.435864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.435864 (E_RNA)
where:
Base-Base interactions energy: -1210.061
where: short stacking energy: -484.134
Base-Backbone interact. energy: -3.953
local terms energy: -528.421558
where:
bonds (distance) C4'-P energy: -101.978
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -115.638
flat angles P-C4'-P energy: -74.799
tors. eta vs tors. theta energy: -140.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1681.658188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.658188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.658188 (E_RNA)
where:
Base-Base interactions energy: -1187.657
where: short stacking energy: -487.011
Base-Backbone interact. energy: -2.994
local terms energy: -491.007572
where:
bonds (distance) C4'-P energy: -93.599
bonds (distance) P-C4' energy: -92.759
flat angles C4'-P-C4' energy: -111.478
flat angles P-C4'-P energy: -65.973
tors. eta vs tors. theta energy: -127.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1408.850478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.850478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.850478 (E_RNA)
where:
Base-Base interactions energy: -958.406
where: short stacking energy: -421.134
Base-Backbone interact. energy: -1.788
local terms energy: -448.657037
where:
bonds (distance) C4'-P energy: -89.471
bonds (distance) P-C4' energy: -85.802
flat angles C4'-P-C4' energy: -95.344
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -107.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1344.784642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.784642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.784642 (E_RNA)
where:
Base-Base interactions energy: -926.239
where: short stacking energy: -424.799
Base-Backbone interact. energy: -0.698
local terms energy: -417.848316
where:
bonds (distance) C4'-P energy: -85.381
bonds (distance) P-C4' energy: -99.807
flat angles C4'-P-C4' energy: -85.899
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -91.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1261.097429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.097429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.097429 (E_RNA)
where:
Base-Base interactions energy: -837.065
where: short stacking energy: -368.384
Base-Backbone interact. energy: -0.607
local terms energy: -423.425622
where:
bonds (distance) C4'-P energy: -90.434
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -112.532
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -78.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1045.207307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.207307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.207307 (E_RNA)
where:
Base-Base interactions energy: -666.117
where: short stacking energy: -311.560
Base-Backbone interact. energy: -1.012
local terms energy: -378.078489
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -92.448
flat angles C4'-P-C4' energy: -87.406
flat angles P-C4'-P energy: -73.653
tors. eta vs tors. theta energy: -50.899
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: 450
Temperature: 1.350000
Total energy: -692.063830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.063830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.063830 (E_RNA)
where:
Base-Base interactions energy: -377.125
where: short stacking energy: -209.821
Base-Backbone interact. energy: 2.269
local terms energy: -317.207567
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -92.112
flat angles C4'-P-C4' energy: -91.588
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1945.741037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.741037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.741037 (E_RNA)
where:
Base-Base interactions energy: -1380.633
where: short stacking energy: -567.605
Base-Backbone interact. energy: -3.491
local terms energy: -561.617267
where:
bonds (distance) C4'-P energy: -99.542
bonds (distance) P-C4' energy: -106.624
flat angles C4'-P-C4' energy: -118.393
flat angles P-C4'-P energy: -81.060
tors. eta vs tors. theta energy: -155.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1879.614394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.614394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.614394 (E_RNA)
where:
Base-Base interactions energy: -1303.286
where: short stacking energy: -549.721
Base-Backbone interact. energy: -3.716
local terms energy: -572.613013
where:
bonds (distance) C4'-P energy: -106.071
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -122.985
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -154.359
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: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1844.196666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.196666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.196666 (E_RNA)
where:
Base-Base interactions energy: -1294.984
where: short stacking energy: -525.947
Base-Backbone interact. energy: 0.857
local terms energy: -550.068939
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -94.644
flat angles C4'-P-C4' energy: -111.230
flat angles P-C4'-P energy: -89.951
tors. eta vs tors. theta energy: -143.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1704.258802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.258802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.258802 (E_RNA)
where:
Base-Base interactions energy: -1215.987
where: short stacking energy: -479.618
Base-Backbone interact. energy: -1.442
local terms energy: -486.829496
where:
bonds (distance) C4'-P energy: -95.816
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -115.646
flat angles P-C4'-P energy: -64.845
tors. eta vs tors. theta energy: -121.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1646.893318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.893318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.893318 (E_RNA)
where:
Base-Base interactions energy: -1149.325
where: short stacking energy: -482.783
Base-Backbone interact. energy: -2.328
local terms energy: -495.239558
where:
bonds (distance) C4'-P energy: -78.413
bonds (distance) P-C4' energy: -83.871
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -75.492
tors. eta vs tors. theta energy: -142.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1451.886347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.886347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.886347 (E_RNA)
where:
Base-Base interactions energy: -967.593
where: short stacking energy: -431.162
Base-Backbone interact. energy: 1.209
local terms energy: -485.501802
where:
bonds (distance) C4'-P energy: -102.949
bonds (distance) P-C4' energy: -80.970
flat angles C4'-P-C4' energy: -104.185
flat angles P-C4'-P energy: -74.793
tors. eta vs tors. theta energy: -122.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1376.640952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.640952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.640952 (E_RNA)
where:
Base-Base interactions energy: -948.808
where: short stacking energy: -412.209
Base-Backbone interact. energy: 3.629
local terms energy: -431.462656
where:
bonds (distance) C4'-P energy: -95.595
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -91.791
flat angles P-C4'-P energy: -59.699
tors. eta vs tors. theta energy: -96.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1246.022552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.022552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.022552 (E_RNA)
where:
Base-Base interactions energy: -818.929
where: short stacking energy: -351.964
Base-Backbone interact. energy: -2.686
local terms energy: -424.407857
where:
bonds (distance) C4'-P energy: -95.014
bonds (distance) P-C4' energy: -103.593
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -54.689
tors. eta vs tors. theta energy: -81.380
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: 451
Temperature: 1.300000
Total energy: -1083.558647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.558647 (E_RNA)
where:
Base-Base interactions energy: -686.494
where: short stacking energy: -286.835
Base-Backbone interact. energy: -3.510
local terms energy: -393.554509
where:
bonds (distance) C4'-P energy: -84.572
bonds (distance) P-C4' energy: -98.517
flat angles C4'-P-C4' energy: -98.227
flat angles P-C4'-P energy: -66.667
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -659.450523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.450523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.450523 (E_RNA)
where:
Base-Base interactions energy: -360.885
where: short stacking energy: -206.281
Base-Backbone interact. energy: 2.458
local terms energy: -301.022877
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1945.083015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.083015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.083015 (E_RNA)
where:
Base-Base interactions energy: -1362.684
where: short stacking energy: -576.468
Base-Backbone interact. energy: -5.625
local terms energy: -576.774573
where:
bonds (distance) C4'-P energy: -113.423
bonds (distance) P-C4' energy: -110.961
flat angles C4'-P-C4' energy: -117.873
flat angles P-C4'-P energy: -79.949
tors. eta vs tors. theta energy: -154.568
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1853.165224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.165224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.165224 (E_RNA)
where:
Base-Base interactions energy: -1286.079
where: short stacking energy: -539.970
Base-Backbone interact. energy: -1.976
local terms energy: -565.109609
where:
bonds (distance) C4'-P energy: -109.062
bonds (distance) P-C4' energy: -93.144
flat angles C4'-P-C4' energy: -122.377
flat angles P-C4'-P energy: -88.221
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: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1860.294918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.294918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.294918 (E_RNA)
where:
Base-Base interactions energy: -1291.195
where: short stacking energy: -558.049
Base-Backbone interact. energy: -0.871
local terms energy: -568.228563
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -101.710
flat angles C4'-P-C4' energy: -127.387
flat angles P-C4'-P energy: -69.567
tors. eta vs tors. theta energy: -162.826
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1702.245623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.245623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.245623 (E_RNA)
where:
Base-Base interactions energy: -1219.066
where: short stacking energy: -458.154
Base-Backbone interact. energy: -2.944
local terms energy: -480.235652
where:
bonds (distance) C4'-P energy: -95.397
bonds (distance) P-C4' energy: -91.702
flat angles C4'-P-C4' energy: -112.580
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -115.867
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: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1585.584468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.584468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.584468 (E_RNA)
where:
Base-Base interactions energy: -1079.122
where: short stacking energy: -432.925
Base-Backbone interact. energy: -1.878
local terms energy: -504.584422
where:
bonds (distance) C4'-P energy: -111.102
bonds (distance) P-C4' energy: -101.664
flat angles C4'-P-C4' energy: -108.237
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -111.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1442.842949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.842949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.842949 (E_RNA)
where:
Base-Base interactions energy: -993.810
where: short stacking energy: -429.317
Base-Backbone interact. energy: -0.931
local terms energy: -448.101566
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -94.373
flat angles C4'-P-C4' energy: -106.433
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -116.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1447.076993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.076993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.076993 (E_RNA)
where:
Base-Base interactions energy: -991.947
where: short stacking energy: -430.498
Base-Backbone interact. energy: 3.307
local terms energy: -458.436573
where:
bonds (distance) C4'-P energy: -104.602
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -98.473
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -104.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1271.497663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.497663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.497663 (E_RNA)
where:
Base-Base interactions energy: -847.736
where: short stacking energy: -358.217
Base-Backbone interact. energy: -2.140
local terms energy: -421.621141
where:
bonds (distance) C4'-P energy: -93.163
bonds (distance) P-C4' energy: -93.182
flat angles C4'-P-C4' energy: -82.910
flat angles P-C4'-P energy: -65.025
tors. eta vs tors. theta energy: -87.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1096.723760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.723760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.723760 (E_RNA)
where:
Base-Base interactions energy: -715.986
where: short stacking energy: -340.087
Base-Backbone interact. energy: -3.160
local terms energy: -377.577066
where:
bonds (distance) C4'-P energy: -76.579
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -97.715
flat angles P-C4'-P energy: -49.437
tors. eta vs tors. theta energy: -70.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -691.602220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.602220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.602220 (E_RNA)
where:
Base-Base interactions energy: -410.742
where: short stacking energy: -231.132
Base-Backbone interact. energy: -0.193
local terms energy: -280.667341
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -62.817
flat angles C4'-P-C4' energy: -81.525
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1926.878794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.878794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.878794 (E_RNA)
where:
Base-Base interactions energy: -1366.248
where: short stacking energy: -560.971
Base-Backbone interact. energy: -1.206
local terms energy: -559.425375
where:
bonds (distance) C4'-P energy: -110.544
bonds (distance) P-C4' energy: -89.147
flat angles C4'-P-C4' energy: -122.524
flat angles P-C4'-P energy: -82.435
tors. eta vs tors. theta energy: -154.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1865.902638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.902638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.902638 (E_RNA)
where:
Base-Base interactions energy: -1307.774
where: short stacking energy: -562.904
Base-Backbone interact. energy: -1.761
local terms energy: -556.368156
where:
bonds (distance) C4'-P energy: -98.543
bonds (distance) P-C4' energy: -107.324
flat angles C4'-P-C4' energy: -118.181
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -153.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1879.339580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.339580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.339580 (E_RNA)
where:
Base-Base interactions energy: -1339.780
where: short stacking energy: -554.905
Base-Backbone interact. energy: 0.224
local terms energy: -539.783292
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -102.928
flat angles C4'-P-C4' energy: -106.184
flat angles P-C4'-P energy: -79.914
tors. eta vs tors. theta energy: -160.570
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: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1732.108890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.108890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.108890 (E_RNA)
where:
Base-Base interactions energy: -1219.293
where: short stacking energy: -478.307
Base-Backbone interact. energy: 2.573
local terms energy: -515.389163
where:
bonds (distance) C4'-P energy: -85.124
bonds (distance) P-C4' energy: -108.269
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -75.108
tors. eta vs tors. theta energy: -124.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1650.865307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.865307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.865307 (E_RNA)
where:
Base-Base interactions energy: -1155.185
where: short stacking energy: -471.457
Base-Backbone interact. energy: -2.866
local terms energy: -492.813730
where:
bonds (distance) C4'-P energy: -95.920
bonds (distance) P-C4' energy: -86.957
flat angles C4'-P-C4' energy: -112.310
flat angles P-C4'-P energy: -73.002
tors. eta vs tors. theta energy: -124.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1447.124426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.124426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.124426 (E_RNA)
where:
Base-Base interactions energy: -1003.722
where: short stacking energy: -422.194
Base-Backbone interact. energy: -2.422
local terms energy: -440.980907
where:
bonds (distance) C4'-P energy: -88.886
bonds (distance) P-C4' energy: -93.272
flat angles C4'-P-C4' energy: -88.515
flat angles P-C4'-P energy: -64.990
tors. eta vs tors. theta energy: -105.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1406.377513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.377513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.377513 (E_RNA)
where:
Base-Base interactions energy: -949.323
where: short stacking energy: -396.660
Base-Backbone interact. energy: 2.051
local terms energy: -459.104810
where:
bonds (distance) C4'-P energy: -97.795
bonds (distance) P-C4' energy: -108.266
flat angles C4'-P-C4' energy: -101.305
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: -93.305
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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1255.991592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.991592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.991592 (E_RNA)
where:
Base-Base interactions energy: -833.961
where: short stacking energy: -370.943
Base-Backbone interact. energy: 0.043
local terms energy: -422.073671
where:
bonds (distance) C4'-P energy: -89.461
bonds (distance) P-C4' energy: -92.461
flat angles C4'-P-C4' energy: -96.284
flat angles P-C4'-P energy: -60.844
tors. eta vs tors. theta energy: -83.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1112.327187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.327187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.327187 (E_RNA)
where:
Base-Base interactions energy: -728.843
where: short stacking energy: -324.507
Base-Backbone interact. energy: -2.591
local terms energy: -380.892927
where:
bonds (distance) C4'-P energy: -82.685
bonds (distance) P-C4' energy: -82.220
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -63.624
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: 453
Temperature: 1.350000
Total energy: -714.515901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.515901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.515901 (E_RNA)
where:
Base-Base interactions energy: -413.648
where: short stacking energy: -193.192
Base-Backbone interact. energy: -0.422
local terms energy: -300.446229
where:
bonds (distance) C4'-P energy: -97.589
bonds (distance) P-C4' energy: -81.941
flat angles C4'-P-C4' energy: -76.657
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1931.910135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.910135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.910135 (E_RNA)
where:
Base-Base interactions energy: -1350.515
where: short stacking energy: -544.353
Base-Backbone interact. energy: -2.043
local terms energy: -579.351495
where:
bonds (distance) C4'-P energy: -111.781
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -128.915
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -151.214
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: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1830.263721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.263721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.263721 (E_RNA)
where:
Base-Base interactions energy: -1281.788
where: short stacking energy: -543.006
Base-Backbone interact. energy: -1.190
local terms energy: -547.285715
where:
bonds (distance) C4'-P energy: -89.527
bonds (distance) P-C4' energy: -104.144
flat angles C4'-P-C4' energy: -120.323
flat angles P-C4'-P energy: -84.982
tors. eta vs tors. theta energy: -148.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1855.263627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.263627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.263627 (E_RNA)
where:
Base-Base interactions energy: -1322.213
where: short stacking energy: -545.152
Base-Backbone interact. energy: 0.560
local terms energy: -533.610312
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -104.367
flat angles C4'-P-C4' energy: -108.786
flat angles P-C4'-P energy: -84.944
tors. eta vs tors. theta energy: -147.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1747.635298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.635298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.635298 (E_RNA)
where:
Base-Base interactions energy: -1246.935
where: short stacking energy: -502.391
Base-Backbone interact. energy: -3.165
local terms energy: -497.534862
where:
bonds (distance) C4'-P energy: -95.994
bonds (distance) P-C4' energy: -95.372
flat angles C4'-P-C4' energy: -112.315
flat angles P-C4'-P energy: -60.910
tors. eta vs tors. theta energy: -132.943
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: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1615.750104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.750104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.750104 (E_RNA)
where:
Base-Base interactions energy: -1113.948
where: short stacking energy: -467.168
Base-Backbone interact. energy: -1.382
local terms energy: -500.420238
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -102.066
flat angles C4'-P-C4' energy: -106.606
flat angles P-C4'-P energy: -71.552
tors. eta vs tors. theta energy: -120.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1434.430244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.430244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.430244 (E_RNA)
where:
Base-Base interactions energy: -967.916
where: short stacking energy: -417.580
Base-Backbone interact. energy: -1.395
local terms energy: -465.119358
where:
bonds (distance) C4'-P energy: -85.792
bonds (distance) P-C4' energy: -85.025
flat angles C4'-P-C4' energy: -101.952
flat angles P-C4'-P energy: -79.294
tors. eta vs tors. theta energy: -113.057
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: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1431.119819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.119819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.119819 (E_RNA)
where:
Base-Base interactions energy: -954.972
where: short stacking energy: -403.860
Base-Backbone interact. energy: 4.134
local terms energy: -480.282373
where:
bonds (distance) C4'-P energy: -92.793
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -98.459
flat angles P-C4'-P energy: -78.869
tors. eta vs tors. theta energy: -115.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1240.455126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.455126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.455126 (E_RNA)
where:
Base-Base interactions energy: -824.615
where: short stacking energy: -354.738
Base-Backbone interact. energy: -1.273
local terms energy: -414.567000
where:
bonds (distance) C4'-P energy: -91.886
bonds (distance) P-C4' energy: -92.220
flat angles C4'-P-C4' energy: -97.351
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -78.287
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: 454
Temperature: 1.300000
Total energy: -1075.660731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.660731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.660731 (E_RNA)
where:
Base-Base interactions energy: -710.891
where: short stacking energy: -324.593
Base-Backbone interact. energy: -0.877
local terms energy: -363.892543
where:
bonds (distance) C4'-P energy: -81.714
bonds (distance) P-C4' energy: -86.540
flat angles C4'-P-C4' energy: -83.763
flat angles P-C4'-P energy: -51.788
tors. eta vs tors. theta energy: -60.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -749.642916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.642916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.642916 (E_RNA)
where:
Base-Base interactions energy: -435.119
where: short stacking energy: -227.745
Base-Backbone interact. energy: 5.903
local terms energy: -320.426165
where:
bonds (distance) C4'-P energy: -96.864
bonds (distance) P-C4' energy: -94.138
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1945.785677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.785677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.785677 (E_RNA)
where:
Base-Base interactions energy: -1397.327
where: short stacking energy: -555.331
Base-Backbone interact. energy: 0.300
local terms energy: -548.758211
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -108.768
flat angles C4'-P-C4' energy: -117.128
flat angles P-C4'-P energy: -84.134
tors. eta vs tors. theta energy: -149.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1874.377005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.377005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.377005 (E_RNA)
where:
Base-Base interactions energy: -1311.425
where: short stacking energy: -531.395
Base-Backbone interact. energy: -0.980
local terms energy: -561.972078
where:
bonds (distance) C4'-P energy: -102.000
bonds (distance) P-C4' energy: -115.840
flat angles C4'-P-C4' energy: -115.041
flat angles P-C4'-P energy: -86.618
tors. eta vs tors. theta energy: -142.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1799.173875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.173875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.173875 (E_RNA)
where:
Base-Base interactions energy: -1270.391
where: short stacking energy: -538.844
Base-Backbone interact. energy: -0.740
local terms energy: -528.042838
where:
bonds (distance) C4'-P energy: -77.271
bonds (distance) P-C4' energy: -97.932
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -80.546
tors. eta vs tors. theta energy: -145.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1721.147266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.147266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.147266 (E_RNA)
where:
Base-Base interactions energy: -1213.028
where: short stacking energy: -489.318
Base-Backbone interact. energy: -2.527
local terms energy: -505.592515
where:
bonds (distance) C4'-P energy: -92.556
bonds (distance) P-C4' energy: -85.077
flat angles C4'-P-C4' energy: -115.850
flat angles P-C4'-P energy: -80.196
tors. eta vs tors. theta energy: -131.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1650.702643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.702643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.702643 (E_RNA)
where:
Base-Base interactions energy: -1164.544
where: short stacking energy: -487.373
Base-Backbone interact. energy: -1.659
local terms energy: -484.499804
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -103.665
flat angles P-C4'-P energy: -71.865
tors. eta vs tors. theta energy: -121.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1450.919787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.919787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.919787 (E_RNA)
where:
Base-Base interactions energy: -987.649
where: short stacking energy: -452.935
Base-Backbone interact. energy: -1.506
local terms energy: -461.764111
where:
bonds (distance) C4'-P energy: -86.449
bonds (distance) P-C4' energy: -82.922
flat angles C4'-P-C4' energy: -103.367
flat angles P-C4'-P energy: -76.897
tors. eta vs tors. theta energy: -112.128
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: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1379.559777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.559777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.559777 (E_RNA)
where:
Base-Base interactions energy: -961.678
where: short stacking energy: -408.081
Base-Backbone interact. energy: -0.406
local terms energy: -417.475936
where:
bonds (distance) C4'-P energy: -94.477
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -83.515
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: -98.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1239.417362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.417362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.417362 (E_RNA)
where:
Base-Base interactions energy: -817.030
where: short stacking energy: -375.513
Base-Backbone interact. energy: -0.722
local terms energy: -421.665286
where:
bonds (distance) C4'-P energy: -84.161
bonds (distance) P-C4' energy: -112.440
flat angles C4'-P-C4' energy: -97.544
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -81.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1016.667629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.667629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.667629 (E_RNA)
where:
Base-Base interactions energy: -657.376
where: short stacking energy: -290.024
Base-Backbone interact. energy: -0.056
local terms energy: -359.236379
where:
bonds (distance) C4'-P energy: -86.345
bonds (distance) P-C4' energy: -91.589
flat angles C4'-P-C4' energy: -75.860
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -49.012
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: 455
Temperature: 1.350000
Total energy: -785.531804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.531804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.531804 (E_RNA)
where:
Base-Base interactions energy: -453.854
where: short stacking energy: -218.608
Base-Backbone interact. energy: -1.096
local terms energy: -330.582234
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -86.781
flat angles C4'-P-C4' energy: -78.092
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1943.584051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.584051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.584051 (E_RNA)
where:
Base-Base interactions energy: -1367.603
where: short stacking energy: -576.290
Base-Backbone interact. energy: 1.450
local terms energy: -577.430294
where:
bonds (distance) C4'-P energy: -109.208
bonds (distance) P-C4' energy: -103.797
flat angles C4'-P-C4' energy: -122.080
flat angles P-C4'-P energy: -92.083
tors. eta vs tors. theta energy: -150.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1894.447413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.447413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.447413 (E_RNA)
where:
Base-Base interactions energy: -1330.549
where: short stacking energy: -523.267
Base-Backbone interact. energy: -2.221
local terms energy: -561.676765
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -89.633
flat angles C4'-P-C4' energy: -126.924
flat angles P-C4'-P energy: -86.348
tors. eta vs tors. theta energy: -150.251
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1792.989168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.989168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.989168 (E_RNA)
where:
Base-Base interactions energy: -1255.044
where: short stacking energy: -526.893
Base-Backbone interact. energy: -2.640
local terms energy: -535.306109
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -106.024
flat angles C4'-P-C4' energy: -117.183
flat angles P-C4'-P energy: -74.508
tors. eta vs tors. theta energy: -148.912
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: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1729.379058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.379058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.379058 (E_RNA)
where:
Base-Base interactions energy: -1208.210
where: short stacking energy: -514.604
Base-Backbone interact. energy: -3.221
local terms energy: -517.947964
where:
bonds (distance) C4'-P energy: -86.243
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -116.885
flat angles P-C4'-P energy: -69.313
tors. eta vs tors. theta energy: -150.437
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: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1650.464819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.464819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.464819 (E_RNA)
where:
Base-Base interactions energy: -1145.455
where: short stacking energy: -485.617
Base-Backbone interact. energy: -2.644
local terms energy: -502.365209
where:
bonds (distance) C4'-P energy: -89.692
bonds (distance) P-C4' energy: -96.174
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -69.354
tors. eta vs tors. theta energy: -128.379
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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1440.357411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.357411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.357411 (E_RNA)
where:
Base-Base interactions energy: -957.648
where: short stacking energy: -434.699
Base-Backbone interact. energy: 1.589
local terms energy: -484.298287
where:
bonds (distance) C4'-P energy: -101.270
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -101.998
flat angles P-C4'-P energy: -81.891
tors. eta vs tors. theta energy: -112.098
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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1423.966379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.966379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.966379 (E_RNA)
where:
Base-Base interactions energy: -978.170
where: short stacking energy: -418.051
Base-Backbone interact. energy: 0.662
local terms energy: -446.458948
where:
bonds (distance) C4'-P energy: -75.446
bonds (distance) P-C4' energy: -92.359
flat angles C4'-P-C4' energy: -97.812
flat angles P-C4'-P energy: -68.257
tors. eta vs tors. theta energy: -112.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1284.815470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.815470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.815470 (E_RNA)
where:
Base-Base interactions energy: -880.538
where: short stacking energy: -386.927
Base-Backbone interact. energy: 1.807
local terms energy: -406.084983
where:
bonds (distance) C4'-P energy: -82.073
bonds (distance) P-C4' energy: -88.627
flat angles C4'-P-C4' energy: -93.647
flat angles P-C4'-P energy: -49.260
tors. eta vs tors. theta energy: -92.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1025.554223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.554223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.554223 (E_RNA)
where:
Base-Base interactions energy: -650.720
where: short stacking energy: -294.510
Base-Backbone interact. energy: -4.594
local terms energy: -370.240737
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -97.288
flat angles C4'-P-C4' energy: -91.189
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -46.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -719.940123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.940123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.940123 (E_RNA)
where:
Base-Base interactions energy: -412.760
where: short stacking energy: -201.747
Base-Backbone interact. energy: 1.433
local terms energy: -308.613030
where:
bonds (distance) C4'-P energy: -95.193
bonds (distance) P-C4' energy: -87.185
flat angles C4'-P-C4' energy: -77.672
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -13.751
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: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1916.966214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.966214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.966214 (E_RNA)
where:
Base-Base interactions energy: -1352.262
where: short stacking energy: -566.075
Base-Backbone interact. energy: -3.582
local terms energy: -561.122097
where:
bonds (distance) C4'-P energy: -99.819
bonds (distance) P-C4' energy: -105.171
flat angles C4'-P-C4' energy: -120.579
flat angles P-C4'-P energy: -84.932
tors. eta vs tors. theta energy: -150.621
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: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1882.362339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.362339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.362339 (E_RNA)
where:
Base-Base interactions energy: -1327.595
where: short stacking energy: -515.822
Base-Backbone interact. energy: 0.612
local terms energy: -555.379290
where:
bonds (distance) C4'-P energy: -97.624
bonds (distance) P-C4' energy: -107.702
flat angles C4'-P-C4' energy: -126.173
flat angles P-C4'-P energy: -77.682
tors. eta vs tors. theta energy: -146.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1769.299974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.299974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.299974 (E_RNA)
where:
Base-Base interactions energy: -1218.283
where: short stacking energy: -513.229
Base-Backbone interact. energy: -1.867
local terms energy: -549.150159
where:
bonds (distance) C4'-P energy: -106.333
bonds (distance) P-C4' energy: -99.656
flat angles C4'-P-C4' energy: -119.691
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -148.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1725.035832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.035832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.035832 (E_RNA)
where:
Base-Base interactions energy: -1213.792
where: short stacking energy: -536.590
Base-Backbone interact. energy: -0.556
local terms energy: -510.688348
where:
bonds (distance) C4'-P energy: -96.840
bonds (distance) P-C4' energy: -90.931
flat angles C4'-P-C4' energy: -106.570
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -145.204
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: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1606.492898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.492898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.492898 (E_RNA)
where:
Base-Base interactions energy: -1107.923
where: short stacking energy: -435.993
Base-Backbone interact. energy: -3.078
local terms energy: -495.491933
where:
bonds (distance) C4'-P energy: -91.737
bonds (distance) P-C4' energy: -98.702
flat angles C4'-P-C4' energy: -107.749
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -114.918
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1474.031752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.031752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.031752 (E_RNA)
where:
Base-Base interactions energy: -1002.339
where: short stacking energy: -449.561
Base-Backbone interact. energy: -1.233
local terms energy: -470.459523
where:
bonds (distance) C4'-P energy: -71.499
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -120.401
flat angles P-C4'-P energy: -69.451
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1436.563414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.563414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.563414 (E_RNA)
where:
Base-Base interactions energy: -975.159
where: short stacking energy: -423.902
Base-Backbone interact. energy: 2.159
local terms energy: -463.563784
where:
bonds (distance) C4'-P energy: -95.164
bonds (distance) P-C4' energy: -99.833
flat angles C4'-P-C4' energy: -106.236
flat angles P-C4'-P energy: -55.787
tors. eta vs tors. theta energy: -106.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1276.690213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.690213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.690213 (E_RNA)
where:
Base-Base interactions energy: -875.835
where: short stacking energy: -357.418
Base-Backbone interact. energy: -0.064
local terms energy: -400.790949
where:
bonds (distance) C4'-P energy: -70.159
bonds (distance) P-C4' energy: -91.711
flat angles C4'-P-C4' energy: -89.421
flat angles P-C4'-P energy: -68.290
tors. eta vs tors. theta energy: -81.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1051.634339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.634339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.634339 (E_RNA)
where:
Base-Base interactions energy: -676.014
where: short stacking energy: -293.053
Base-Backbone interact. energy: -2.560
local terms energy: -373.060797
where:
bonds (distance) C4'-P energy: -89.465
bonds (distance) P-C4' energy: -86.142
flat angles C4'-P-C4' energy: -86.952
flat angles P-C4'-P energy: -59.343
tors. eta vs tors. theta energy: -51.159
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: 457
Temperature: 1.350000
Total energy: -712.175627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.175627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.175627 (E_RNA)
where:
Base-Base interactions energy: -388.082
where: short stacking energy: -197.494
Base-Backbone interact. energy: 0.156
local terms energy: -324.249481
where:
bonds (distance) C4'-P energy: -92.206
bonds (distance) P-C4' energy: -91.947
flat angles C4'-P-C4' energy: -87.788
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -11.468
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: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1952.796518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.796518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.796518 (E_RNA)
where:
Base-Base interactions energy: -1394.429
where: short stacking energy: -579.876
Base-Backbone interact. energy: 0.104
local terms energy: -558.471695
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -111.736
flat angles C4'-P-C4' energy: -114.802
flat angles P-C4'-P energy: -84.954
tors. eta vs tors. theta energy: -156.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1875.121489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.121489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.121489 (E_RNA)
where:
Base-Base interactions energy: -1323.757
where: short stacking energy: -544.258
Base-Backbone interact. energy: -2.817
local terms energy: -548.547037
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -106.975
flat angles C4'-P-C4' energy: -119.331
flat angles P-C4'-P energy: -86.615
tors. eta vs tors. theta energy: -145.940
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: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1717.417035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.417035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.417035 (E_RNA)
where:
Base-Base interactions energy: -1194.567
where: short stacking energy: -503.459
Base-Backbone interact. energy: -0.122
local terms energy: -522.728125
where:
bonds (distance) C4'-P energy: -97.484
bonds (distance) P-C4' energy: -108.386
flat angles C4'-P-C4' energy: -118.477
flat angles P-C4'-P energy: -76.016
tors. eta vs tors. theta energy: -122.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1742.540345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.540345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.540345 (E_RNA)
where:
Base-Base interactions energy: -1216.212
where: short stacking energy: -506.291
Base-Backbone interact. energy: -1.362
local terms energy: -524.965480
where:
bonds (distance) C4'-P energy: -97.084
bonds (distance) P-C4' energy: -109.596
flat angles C4'-P-C4' energy: -102.770
flat angles P-C4'-P energy: -68.979
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: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1616.500021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.500021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.500021 (E_RNA)
where:
Base-Base interactions energy: -1122.948
where: short stacking energy: -461.334
Base-Backbone interact. energy: -2.561
local terms energy: -490.990887
where:
bonds (distance) C4'-P energy: -74.760
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -75.001
tors. eta vs tors. theta energy: -111.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1465.345971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.345971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.345971 (E_RNA)
where:
Base-Base interactions energy: -984.810
where: short stacking energy: -426.721
Base-Backbone interact. energy: -0.961
local terms energy: -479.574687
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -98.689
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -104.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1402.786292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.786292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.786292 (E_RNA)
where:
Base-Base interactions energy: -958.157
where: short stacking energy: -420.606
Base-Backbone interact. energy: -0.630
local terms energy: -443.999330
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -97.729
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -70.751
tors. eta vs tors. theta energy: -104.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1273.531072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.531072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.531072 (E_RNA)
where:
Base-Base interactions energy: -851.141
where: short stacking energy: -366.594
Base-Backbone interact. energy: -1.375
local terms energy: -421.015258
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -90.881
flat angles C4'-P-C4' energy: -90.019
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: -81.998
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: 458
Temperature: 1.300000
Total energy: -1056.539730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.539730 (E_RNA)
where:
Base-Base interactions energy: -690.565
where: short stacking energy: -310.852
Base-Backbone interact. energy: 1.093
local terms energy: -367.068256
where:
bonds (distance) C4'-P energy: -92.436
bonds (distance) P-C4' energy: -68.755
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -56.361
tors. eta vs tors. theta energy: -62.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -710.719239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.719239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.719239 (E_RNA)
where:
Base-Base interactions energy: -381.179
where: short stacking energy: -205.425
Base-Backbone interact. energy: 0.808
local terms energy: -330.348285
where:
bonds (distance) C4'-P energy: -86.331
bonds (distance) P-C4' energy: -86.462
flat angles C4'-P-C4' energy: -78.504
flat angles P-C4'-P energy: -56.775
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1937.556760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.556760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.556760 (E_RNA)
where:
Base-Base interactions energy: -1377.392
where: short stacking energy: -568.865
Base-Backbone interact. energy: -4.041
local terms energy: -556.124220
where:
bonds (distance) C4'-P energy: -95.418
bonds (distance) P-C4' energy: -110.802
flat angles C4'-P-C4' energy: -116.388
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -150.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1915.310865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.310865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.310865 (E_RNA)
where:
Base-Base interactions energy: -1353.359
where: short stacking energy: -529.367
Base-Backbone interact. energy: 2.760
local terms energy: -564.712290
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -119.853
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -146.624
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: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1745.989168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.989168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.989168 (E_RNA)
where:
Base-Base interactions energy: -1228.170
where: short stacking energy: -527.394
Base-Backbone interact. energy: -0.392
local terms energy: -517.427468
where:
bonds (distance) C4'-P energy: -87.932
bonds (distance) P-C4' energy: -95.003
flat angles C4'-P-C4' energy: -114.228
flat angles P-C4'-P energy: -80.954
tors. eta vs tors. theta energy: -139.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1738.517770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.517770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.517770 (E_RNA)
where:
Base-Base interactions energy: -1229.702
where: short stacking energy: -492.151
Base-Backbone interact. energy: -0.542
local terms energy: -508.273878
where:
bonds (distance) C4'-P energy: -95.920
bonds (distance) P-C4' energy: -99.428
flat angles C4'-P-C4' energy: -115.029
flat angles P-C4'-P energy: -70.883
tors. eta vs tors. theta energy: -127.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1627.396486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.396486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.396486 (E_RNA)
where:
Base-Base interactions energy: -1165.735
where: short stacking energy: -471.335
Base-Backbone interact. energy: -0.682
local terms energy: -460.979443
where:
bonds (distance) C4'-P energy: -80.945
bonds (distance) P-C4' energy: -95.578
flat angles C4'-P-C4' energy: -109.697
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -112.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1435.831304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.831304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.831304 (E_RNA)
where:
Base-Base interactions energy: -952.528
where: short stacking energy: -411.789
Base-Backbone interact. energy: 0.341
local terms energy: -483.643820
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -97.159
flat angles C4'-P-C4' energy: -115.589
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -115.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1384.378733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.378733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.378733 (E_RNA)
where:
Base-Base interactions energy: -943.427
where: short stacking energy: -421.728
Base-Backbone interact. energy: 0.099
local terms energy: -441.050341
where:
bonds (distance) C4'-P energy: -81.155
bonds (distance) P-C4' energy: -94.056
flat angles C4'-P-C4' energy: -95.895
flat angles P-C4'-P energy: -59.208
tors. eta vs tors. theta energy: -110.737
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: 459
Temperature: 1.250000
Total energy: -1250.860381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.860381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.860381 (E_RNA)
where:
Base-Base interactions energy: -832.133
where: short stacking energy: -375.798
Base-Backbone interact. energy: -0.921
local terms energy: -417.806968
where:
bonds (distance) C4'-P energy: -95.719
bonds (distance) P-C4' energy: -87.871
flat angles C4'-P-C4' energy: -96.520
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1075.702486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.702486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.702486 (E_RNA)
where:
Base-Base interactions energy: -699.585
where: short stacking energy: -313.031
Base-Backbone interact. energy: 1.265
local terms energy: -377.383000
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -96.172
flat angles C4'-P-C4' energy: -83.320
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -71.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -710.459104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.459104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.459104 (E_RNA)
where:
Base-Base interactions energy: -380.776
where: short stacking energy: -198.054
Base-Backbone interact. energy: -1.273
local terms energy: -328.410203
where:
bonds (distance) C4'-P energy: -77.269
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -59.638
tors. eta vs tors. theta energy: -25.612
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: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1943.227054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.227054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.227054 (E_RNA)
where:
Base-Base interactions energy: -1383.322
where: short stacking energy: -561.210
Base-Backbone interact. energy: -4.557
local terms energy: -555.347734
where:
bonds (distance) C4'-P energy: -99.826
bonds (distance) P-C4' energy: -107.982
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: -140.660
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: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1880.349128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.349128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.349128 (E_RNA)
where:
Base-Base interactions energy: -1319.442
where: short stacking energy: -536.325
Base-Backbone interact. energy: -0.659
local terms energy: -560.247880
where:
bonds (distance) C4'-P energy: -116.002
bonds (distance) P-C4' energy: -108.538
flat angles C4'-P-C4' energy: -122.465
flat angles P-C4'-P energy: -68.827
tors. eta vs tors. theta energy: -144.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1763.081278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.081278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.081278 (E_RNA)
where:
Base-Base interactions energy: -1239.613
where: short stacking energy: -509.047
Base-Backbone interact. energy: -4.014
local terms energy: -519.454574
where:
bonds (distance) C4'-P energy: -97.109
bonds (distance) P-C4' energy: -97.590
flat angles C4'-P-C4' energy: -110.038
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -137.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1730.567904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.567904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.567904 (E_RNA)
where:
Base-Base interactions energy: -1211.288
where: short stacking energy: -501.250
Base-Backbone interact. energy: -3.778
local terms energy: -515.502590
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -120.111
flat angles P-C4'-P energy: -73.302
tors. eta vs tors. theta energy: -131.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1644.958254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.958254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.958254 (E_RNA)
where:
Base-Base interactions energy: -1158.544
where: short stacking energy: -452.640
Base-Backbone interact. energy: -1.541
local terms energy: -484.872982
where:
bonds (distance) C4'-P energy: -83.793
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -112.320
flat angles P-C4'-P energy: -71.705
tors. eta vs tors. theta energy: -109.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1441.831768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.831768 (E_RNA)
where:
Base-Base interactions energy: -975.904
where: short stacking energy: -418.038
Base-Backbone interact. energy: -2.934
local terms energy: -462.993657
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -106.435
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -71.346
tors. eta vs tors. theta energy: -91.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1440.509812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.509812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.509812 (E_RNA)
where:
Base-Base interactions energy: -1021.232
where: short stacking energy: -409.263
Base-Backbone interact. energy: -1.545
local terms energy: -417.733471
where:
bonds (distance) C4'-P energy: -68.089
bonds (distance) P-C4' energy: -93.320
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -78.402
tors. eta vs tors. theta energy: -95.197
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: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1259.049771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.049771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.049771 (E_RNA)
where:
Base-Base interactions energy: -882.730
where: short stacking energy: -389.513
Base-Backbone interact. energy: 3.449
local terms energy: -379.769540
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -68.738
flat angles C4'-P-C4' energy: -79.204
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: -79.823
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: 460
Temperature: 1.300000
Total energy: -1032.871384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.871384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.871384 (E_RNA)
where:
Base-Base interactions energy: -650.999
where: short stacking energy: -295.065
Base-Backbone interact. energy: -2.374
local terms energy: -379.497656
where:
bonds (distance) C4'-P energy: -91.351
bonds (distance) P-C4' energy: -73.277
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -56.687
tors. eta vs tors. theta energy: -68.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -744.761169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.761169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.761169 (E_RNA)
where:
Base-Base interactions energy: -430.058
where: short stacking energy: -190.247
Base-Backbone interact. energy: -3.397
local terms energy: -311.306051
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -85.449
flat angles C4'-P-C4' energy: -67.401
flat angles P-C4'-P energy: -65.339
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1974.317586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.317586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.317586 (E_RNA)
where:
Base-Base interactions energy: -1382.958
where: short stacking energy: -575.534
Base-Backbone interact. energy: -0.116
local terms energy: -591.243788
where:
bonds (distance) C4'-P energy: -109.034
bonds (distance) P-C4' energy: -112.503
flat angles C4'-P-C4' energy: -129.130
flat angles P-C4'-P energy: -91.049
tors. eta vs tors. theta energy: -149.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1867.423175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.423175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.423175 (E_RNA)
where:
Base-Base interactions energy: -1302.843
where: short stacking energy: -535.504
Base-Backbone interact. energy: 0.138
local terms energy: -564.718388
where:
bonds (distance) C4'-P energy: -112.791
bonds (distance) P-C4' energy: -116.705
flat angles C4'-P-C4' energy: -108.799
flat angles P-C4'-P energy: -78.935
tors. eta vs tors. theta energy: -147.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1790.210596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.210596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.210596 (E_RNA)
where:
Base-Base interactions energy: -1248.236
where: short stacking energy: -529.058
Base-Backbone interact. energy: -3.142
local terms energy: -538.833030
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -98.867
flat angles C4'-P-C4' energy: -120.775
flat angles P-C4'-P energy: -83.090
tors. eta vs tors. theta energy: -152.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1709.725385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.725385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.725385 (E_RNA)
where:
Base-Base interactions energy: -1195.227
where: short stacking energy: -502.596
Base-Backbone interact. energy: -1.054
local terms energy: -513.444760
where:
bonds (distance) C4'-P energy: -87.431
bonds (distance) P-C4' energy: -100.526
flat angles C4'-P-C4' energy: -118.752
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: -130.826
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1622.831316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.831316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.831316 (E_RNA)
where:
Base-Base interactions energy: -1135.457
where: short stacking energy: -464.077
Base-Backbone interact. energy: -2.050
local terms energy: -485.324443
where:
bonds (distance) C4'-P energy: -80.510
bonds (distance) P-C4' energy: -101.891
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -70.968
tors. eta vs tors. theta energy: -126.475
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1470.682611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.682611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.682611 (E_RNA)
where:
Base-Base interactions energy: -1017.687
where: short stacking energy: -432.413
Base-Backbone interact. energy: -1.797
local terms energy: -451.198559
where:
bonds (distance) C4'-P energy: -91.695
bonds (distance) P-C4' energy: -100.488
flat angles C4'-P-C4' energy: -94.176
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -108.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1391.340649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.340649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.340649 (E_RNA)
where:
Base-Base interactions energy: -934.849
where: short stacking energy: -389.502
Base-Backbone interact. energy: 2.265
local terms energy: -458.756588
where:
bonds (distance) C4'-P energy: -94.332
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -93.963
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: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1264.962353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.962353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.962353 (E_RNA)
where:
Base-Base interactions energy: -842.513
where: short stacking energy: -374.341
Base-Backbone interact. energy: -0.951
local terms energy: -421.498901
where:
bonds (distance) C4'-P energy: -83.964
bonds (distance) P-C4' energy: -88.618
flat angles C4'-P-C4' energy: -99.781
flat angles P-C4'-P energy: -63.877
tors. eta vs tors. theta energy: -85.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1001.140431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.140431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.140431 (E_RNA)
where:
Base-Base interactions energy: -622.723
where: short stacking energy: -264.973
Base-Backbone interact. energy: -2.601
local terms energy: -375.817273
where:
bonds (distance) C4'-P energy: -90.848
bonds (distance) P-C4' energy: -87.347
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -64.392
tors. eta vs tors. theta energy: -50.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -736.002879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.002879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.002879 (E_RNA)
where:
Base-Base interactions energy: -428.470
where: short stacking energy: -217.933
Base-Backbone interact. energy: 3.518
local terms energy: -311.050478
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -94.228
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1948.437831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.437831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.437831 (E_RNA)
where:
Base-Base interactions energy: -1372.137
where: short stacking energy: -557.405
Base-Backbone interact. energy: -4.843
local terms energy: -571.457426
where:
bonds (distance) C4'-P energy: -101.582
bonds (distance) P-C4' energy: -114.919
flat angles C4'-P-C4' energy: -122.891
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -150.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1912.116892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.116892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.116892 (E_RNA)
where:
Base-Base interactions energy: -1321.545
where: short stacking energy: -539.985
Base-Backbone interact. energy: -4.365
local terms energy: -586.207416
where:
bonds (distance) C4'-P energy: -114.230
bonds (distance) P-C4' energy: -108.409
flat angles C4'-P-C4' energy: -119.571
flat angles P-C4'-P energy: -86.769
tors. eta vs tors. theta energy: -157.228
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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1762.338189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.338189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.338189 (E_RNA)
where:
Base-Base interactions energy: -1237.762
where: short stacking energy: -500.167
Base-Backbone interact. energy: 2.021
local terms energy: -526.597450
where:
bonds (distance) C4'-P energy: -100.594
bonds (distance) P-C4' energy: -103.107
flat angles C4'-P-C4' energy: -113.941
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -134.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1694.943692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.943692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.943692 (E_RNA)
where:
Base-Base interactions energy: -1173.352
where: short stacking energy: -485.180
Base-Backbone interact. energy: -0.854
local terms energy: -520.737129
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -118.918
flat angles P-C4'-P energy: -75.083
tors. eta vs tors. theta energy: -133.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1674.398727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.398727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.398727 (E_RNA)
where:
Base-Base interactions energy: -1180.809
where: short stacking energy: -474.800
Base-Backbone interact. energy: -2.762
local terms energy: -490.827207
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -105.670
flat angles P-C4'-P energy: -67.985
tors. eta vs tors. theta energy: -127.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1476.060069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.060069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.060069 (E_RNA)
where:
Base-Base interactions energy: -993.456
where: short stacking energy: -423.534
Base-Backbone interact. energy: 0.966
local terms energy: -483.570033
where:
bonds (distance) C4'-P energy: -96.643
bonds (distance) P-C4' energy: -108.854
flat angles C4'-P-C4' energy: -102.132
flat angles P-C4'-P energy: -71.995
tors. eta vs tors. theta energy: -103.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1360.437842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.437842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.437842 (E_RNA)
where:
Base-Base interactions energy: -916.570
where: short stacking energy: -392.888
Base-Backbone interact. energy: -3.174
local terms energy: -440.694063
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -84.724
flat angles C4'-P-C4' energy: -104.273
flat angles P-C4'-P energy: -75.185
tors. eta vs tors. theta energy: -88.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1351.384081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.384081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.384081 (E_RNA)
where:
Base-Base interactions energy: -906.841
where: short stacking energy: -401.861
Base-Backbone interact. energy: 1.000
local terms energy: -445.543100
where:
bonds (distance) C4'-P energy: -80.239
bonds (distance) P-C4' energy: -97.607
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -60.557
tors. eta vs tors. theta energy: -103.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1036.917884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.917884 (E_RNA)
where:
Base-Base interactions energy: -665.603
where: short stacking energy: -283.312
Base-Backbone interact. energy: -1.841
local terms energy: -369.474142
where:
bonds (distance) C4'-P energy: -71.661
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -91.006
flat angles P-C4'-P energy: -52.927
tors. eta vs tors. theta energy: -63.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -728.514376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.514376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.514376 (E_RNA)
where:
Base-Base interactions energy: -437.616
where: short stacking energy: -217.655
Base-Backbone interact. energy: -0.329
local terms energy: -290.569754
where:
bonds (distance) C4'-P energy: -71.771
bonds (distance) P-C4' energy: -89.986
flat angles C4'-P-C4' energy: -70.271
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1959.925021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.925021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.925021 (E_RNA)
where:
Base-Base interactions energy: -1400.556
where: short stacking energy: -558.739
Base-Backbone interact. energy: -4.127
local terms energy: -555.242273
where:
bonds (distance) C4'-P energy: -98.786
bonds (distance) P-C4' energy: -101.457
flat angles C4'-P-C4' energy: -118.858
flat angles P-C4'-P energy: -78.203
tors. eta vs tors. theta energy: -157.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1899.851361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.851361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.851361 (E_RNA)
where:
Base-Base interactions energy: -1338.266
where: short stacking energy: -549.637
Base-Backbone interact. energy: -3.225
local terms energy: -558.360081
where:
bonds (distance) C4'-P energy: -95.445
bonds (distance) P-C4' energy: -118.660
flat angles C4'-P-C4' energy: -119.241
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -139.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1770.787430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.787430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.787430 (E_RNA)
where:
Base-Base interactions energy: -1227.487
where: short stacking energy: -543.088
Base-Backbone interact. energy: -4.901
local terms energy: -538.399287
where:
bonds (distance) C4'-P energy: -97.121
bonds (distance) P-C4' energy: -98.172
flat angles C4'-P-C4' energy: -117.502
flat angles P-C4'-P energy: -78.793
tors. eta vs tors. theta energy: -146.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1722.390917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.390917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.390917 (E_RNA)
where:
Base-Base interactions energy: -1188.851
where: short stacking energy: -497.285
Base-Backbone interact. energy: -2.677
local terms energy: -530.862453
where:
bonds (distance) C4'-P energy: -110.237
bonds (distance) P-C4' energy: -104.874
flat angles C4'-P-C4' energy: -113.429
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -132.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1661.811767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.811767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.811767 (E_RNA)
where:
Base-Base interactions energy: -1172.524
where: short stacking energy: -497.909
Base-Backbone interact. energy: 2.440
local terms energy: -491.727612
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -93.684
flat angles C4'-P-C4' energy: -107.762
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: -133.535
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1392.391754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.391754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.391754 (E_RNA)
where:
Base-Base interactions energy: -923.592
where: short stacking energy: -397.929
Base-Backbone interact. energy: -1.072
local terms energy: -467.727667
where:
bonds (distance) C4'-P energy: -95.843
bonds (distance) P-C4' energy: -90.123
flat angles C4'-P-C4' energy: -95.876
flat angles P-C4'-P energy: -75.338
tors. eta vs tors. theta energy: -110.547
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: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1452.812677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.812677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.812677 (E_RNA)
where:
Base-Base interactions energy: -1017.134
where: short stacking energy: -415.239
Base-Backbone interact. energy: -2.015
local terms energy: -433.663439
where:
bonds (distance) C4'-P energy: -90.063
bonds (distance) P-C4' energy: -86.121
flat angles C4'-P-C4' energy: -107.566
flat angles P-C4'-P energy: -62.566
tors. eta vs tors. theta energy: -87.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1334.267814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.267814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.267814 (E_RNA)
where:
Base-Base interactions energy: -908.275
where: short stacking energy: -394.733
Base-Backbone interact. energy: -0.610
local terms energy: -425.382702
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -86.142
flat angles C4'-P-C4' energy: -98.961
flat angles P-C4'-P energy: -59.278
tors. eta vs tors. theta energy: -101.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1019.086552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.086552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.086552 (E_RNA)
where:
Base-Base interactions energy: -630.029
where: short stacking energy: -282.027
Base-Backbone interact. energy: -1.329
local terms energy: -387.728802
where:
bonds (distance) C4'-P energy: -83.902
bonds (distance) P-C4' energy: -102.993
flat angles C4'-P-C4' energy: -81.691
flat angles P-C4'-P energy: -51.428
tors. eta vs tors. theta energy: -67.714
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: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -764.862185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.862185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.862185 (E_RNA)
where:
Base-Base interactions energy: -477.156
where: short stacking energy: -233.046
Base-Backbone interact. energy: 1.766
local terms energy: -289.472203
where:
bonds (distance) C4'-P energy: -79.470
bonds (distance) P-C4' energy: -84.499
flat angles C4'-P-C4' energy: -71.482
flat angles P-C4'-P energy: -47.400
tors. eta vs tors. theta energy: -6.621
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: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1949.811418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.811418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.811418 (E_RNA)
where:
Base-Base interactions energy: -1370.777
where: short stacking energy: -573.088
Base-Backbone interact. energy: -6.545
local terms energy: -572.489191
where:
bonds (distance) C4'-P energy: -96.508
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -124.035
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -158.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1890.838972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.838972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.838972 (E_RNA)
where:
Base-Base interactions energy: -1333.865
where: short stacking energy: -536.455
Base-Backbone interact. energy: 8.049
local terms energy: -565.022601
where:
bonds (distance) C4'-P energy: -106.457
bonds (distance) P-C4' energy: -107.477
flat angles C4'-P-C4' energy: -128.238
flat angles P-C4'-P energy: -76.629
tors. eta vs tors. theta energy: -146.221
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: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1762.220682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.220682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.220682 (E_RNA)
where:
Base-Base interactions energy: -1226.499
where: short stacking energy: -504.536
Base-Backbone interact. energy: -1.536
local terms energy: -534.185059
where:
bonds (distance) C4'-P energy: -102.345
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -105.954
flat angles P-C4'-P energy: -71.154
tors. eta vs tors. theta energy: -137.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1756.028592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.028592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.028592 (E_RNA)
where:
Base-Base interactions energy: -1221.771
where: short stacking energy: -529.986
Base-Backbone interact. energy: -2.161
local terms energy: -532.095962
where:
bonds (distance) C4'-P energy: -97.019
bonds (distance) P-C4' energy: -102.940
flat angles C4'-P-C4' energy: -118.224
flat angles P-C4'-P energy: -67.965
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: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1665.382241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.382241 (E_RNA)
where:
Base-Base interactions energy: -1151.405
where: short stacking energy: -465.232
Base-Backbone interact. energy: 2.463
local terms energy: -516.439495
where:
bonds (distance) C4'-P energy: -106.288
bonds (distance) P-C4' energy: -107.277
flat angles C4'-P-C4' energy: -109.511
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -126.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1397.295660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.295660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.295660 (E_RNA)
where:
Base-Base interactions energy: -920.271
where: short stacking energy: -420.647
Base-Backbone interact. energy: -0.465
local terms energy: -476.559193
where:
bonds (distance) C4'-P energy: -89.037
bonds (distance) P-C4' energy: -103.321
flat angles C4'-P-C4' energy: -98.672
flat angles P-C4'-P energy: -72.261
tors. eta vs tors. theta energy: -113.268
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: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1436.901240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.901240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.901240 (E_RNA)
where:
Base-Base interactions energy: -991.334
where: short stacking energy: -410.588
Base-Backbone interact. energy: -2.018
local terms energy: -443.549793
where:
bonds (distance) C4'-P energy: -90.976
bonds (distance) P-C4' energy: -94.266
flat angles C4'-P-C4' energy: -95.738
flat angles P-C4'-P energy: -65.125
tors. eta vs tors. theta energy: -97.445
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: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1337.875678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.875678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.875678 (E_RNA)
where:
Base-Base interactions energy: -908.431
where: short stacking energy: -412.966
Base-Backbone interact. energy: 2.154
local terms energy: -431.598282
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -92.545
flat angles C4'-P-C4' energy: -95.376
flat angles P-C4'-P energy: -62.154
tors. eta vs tors. theta energy: -102.804
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: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1049.234268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.234268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.234268 (E_RNA)
where:
Base-Base interactions energy: -662.239
where: short stacking energy: -289.349
Base-Backbone interact. energy: -1.029
local terms energy: -385.965678
where:
bonds (distance) C4'-P energy: -90.772
bonds (distance) P-C4' energy: -97.562
flat angles C4'-P-C4' energy: -95.702
flat angles P-C4'-P energy: -51.218
tors. eta vs tors. theta energy: -50.712
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: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -731.523699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.523699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.523699 (E_RNA)
where:
Base-Base interactions energy: -426.457
where: short stacking energy: -207.148
Base-Backbone interact. energy: -0.847
local terms energy: -304.219864
where:
bonds (distance) C4'-P energy: -70.528
bonds (distance) P-C4' energy: -70.702
flat angles C4'-P-C4' energy: -99.286
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1953.559377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.559377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.559377 (E_RNA)
where:
Base-Base interactions energy: -1367.840
where: short stacking energy: -577.961
Base-Backbone interact. energy: 2.857
local terms energy: -588.576338
where:
bonds (distance) C4'-P energy: -103.745
bonds (distance) P-C4' energy: -113.177
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -87.069
tors. eta vs tors. theta energy: -159.455
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: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1899.759641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.759641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.759641 (E_RNA)
where:
Base-Base interactions energy: -1329.460
where: short stacking energy: -543.336
Base-Backbone interact. energy: -5.206
local terms energy: -565.093842
where:
bonds (distance) C4'-P energy: -106.210
bonds (distance) P-C4' energy: -101.377
flat angles C4'-P-C4' energy: -121.490
flat angles P-C4'-P energy: -85.636
tors. eta vs tors. theta energy: -150.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1752.400252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.400252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.400252 (E_RNA)
where:
Base-Base interactions energy: -1260.171
where: short stacking energy: -521.051
Base-Backbone interact. energy: -3.842
local terms energy: -488.387595
where:
bonds (distance) C4'-P energy: -82.691
bonds (distance) P-C4' energy: -82.447
flat angles C4'-P-C4' energy: -112.745
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -139.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1746.210566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.210566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.210566 (E_RNA)
where:
Base-Base interactions energy: -1231.065
where: short stacking energy: -520.136
Base-Backbone interact. energy: -2.653
local terms energy: -512.492968
where:
bonds (distance) C4'-P energy: -93.014
bonds (distance) P-C4' energy: -99.034
flat angles C4'-P-C4' energy: -107.863
flat angles P-C4'-P energy: -72.336
tors. eta vs tors. theta energy: -140.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1673.534397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.534397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.534397 (E_RNA)
where:
Base-Base interactions energy: -1160.629
where: short stacking energy: -498.599
Base-Backbone interact. energy: -2.592
local terms energy: -510.313936
where:
bonds (distance) C4'-P energy: -101.890
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -54.409
tors. eta vs tors. theta energy: -136.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1483.296613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.296613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.296613 (E_RNA)
where:
Base-Base interactions energy: -1016.874
where: short stacking energy: -429.812
Base-Backbone interact. energy: -0.661
local terms energy: -465.762023
where:
bonds (distance) C4'-P energy: -93.063
bonds (distance) P-C4' energy: -103.393
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -66.229
tors. eta vs tors. theta energy: -102.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1343.217055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.217055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.217055 (E_RNA)
where:
Base-Base interactions energy: -908.064
where: short stacking energy: -393.084
Base-Backbone interact. energy: -1.178
local terms energy: -433.974645
where:
bonds (distance) C4'-P energy: -101.553
bonds (distance) P-C4' energy: -90.874
flat angles C4'-P-C4' energy: -93.674
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -88.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1346.138252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.138252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.138252 (E_RNA)
where:
Base-Base interactions energy: -935.616
where: short stacking energy: -407.837
Base-Backbone interact. energy: 1.183
local terms energy: -411.705771
where:
bonds (distance) C4'-P energy: -78.720
bonds (distance) P-C4' energy: -72.550
flat angles C4'-P-C4' energy: -105.313
flat angles P-C4'-P energy: -60.322
tors. eta vs tors. theta energy: -94.801
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: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1072.250660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.250660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.250660 (E_RNA)
where:
Base-Base interactions energy: -704.333
where: short stacking energy: -294.709
Base-Backbone interact. energy: 0.934
local terms energy: -368.851303
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -94.485
flat angles C4'-P-C4' energy: -92.447
flat angles P-C4'-P energy: -47.567
tors. eta vs tors. theta energy: -47.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -734.214649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.214649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.214649 (E_RNA)
where:
Base-Base interactions energy: -421.110
where: short stacking energy: -202.942
Base-Backbone interact. energy: -1.019
local terms energy: -312.084956
where:
bonds (distance) C4'-P energy: -86.570
bonds (distance) P-C4' energy: -89.626
flat angles C4'-P-C4' energy: -82.238
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1961.360748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.360748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.360748 (E_RNA)
where:
Base-Base interactions energy: -1393.973
where: short stacking energy: -570.008
Base-Backbone interact. energy: 0.294
local terms energy: -567.682037
where:
bonds (distance) C4'-P energy: -114.450
bonds (distance) P-C4' energy: -84.458
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -91.358
tors. eta vs tors. theta energy: -151.347
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: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1920.394797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.394797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.394797 (E_RNA)
where:
Base-Base interactions energy: -1366.141
where: short stacking energy: -560.925
Base-Backbone interact. energy: -0.611
local terms energy: -553.642307
where:
bonds (distance) C4'-P energy: -96.199
bonds (distance) P-C4' energy: -116.093
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -71.515
tors. eta vs tors. theta energy: -155.531
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: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1776.957819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.957819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.957819 (E_RNA)
where:
Base-Base interactions energy: -1255.617
where: short stacking energy: -539.419
Base-Backbone interact. energy: -3.140
local terms energy: -518.200074
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -98.450
flat angles C4'-P-C4' energy: -102.191
flat angles P-C4'-P energy: -81.329
tors. eta vs tors. theta energy: -141.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1712.997574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.997574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.997574 (E_RNA)
where:
Base-Base interactions energy: -1207.892
where: short stacking energy: -508.889
Base-Backbone interact. energy: -1.554
local terms energy: -503.551427
where:
bonds (distance) C4'-P energy: -101.194
bonds (distance) P-C4' energy: -80.839
flat angles C4'-P-C4' energy: -117.966
flat angles P-C4'-P energy: -75.045
tors. eta vs tors. theta energy: -128.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1658.262629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.262629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.262629 (E_RNA)
where:
Base-Base interactions energy: -1165.327
where: short stacking energy: -476.148
Base-Backbone interact. energy: -0.634
local terms energy: -492.301726
where:
bonds (distance) C4'-P energy: -97.197
bonds (distance) P-C4' energy: -90.578
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -66.064
tors. eta vs tors. theta energy: -129.337
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: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1515.438740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.438740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.438740 (E_RNA)
where:
Base-Base interactions energy: -1047.305
where: short stacking energy: -436.958
Base-Backbone interact. energy: -0.454
local terms energy: -467.680125
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -108.686
flat angles P-C4'-P energy: -66.670
tors. eta vs tors. theta energy: -110.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1355.988302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.988302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.988302 (E_RNA)
where:
Base-Base interactions energy: -913.160
where: short stacking energy: -399.191
Base-Backbone interact. energy: 0.075
local terms energy: -442.903962
where:
bonds (distance) C4'-P energy: -84.908
bonds (distance) P-C4' energy: -100.670
flat angles C4'-P-C4' energy: -96.688
flat angles P-C4'-P energy: -68.219
tors. eta vs tors. theta energy: -92.419
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1264.751974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.751974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.751974 (E_RNA)
where:
Base-Base interactions energy: -825.280
where: short stacking energy: -364.595
Base-Backbone interact. energy: -1.297
local terms energy: -438.174139
where:
bonds (distance) C4'-P energy: -90.282
bonds (distance) P-C4' energy: -90.830
flat angles C4'-P-C4' energy: -96.825
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -92.863
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: 466
Temperature: 1.300000
Total energy: -977.588054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.588054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.588054 (E_RNA)
where:
Base-Base interactions energy: -629.371
where: short stacking energy: -286.342
Base-Backbone interact. energy: 5.677
local terms energy: -353.893966
where:
bonds (distance) C4'-P energy: -81.542
bonds (distance) P-C4' energy: -98.320
flat angles C4'-P-C4' energy: -95.314
flat angles P-C4'-P energy: -52.341
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -734.561058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.561058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.561058 (E_RNA)
where:
Base-Base interactions energy: -401.235
where: short stacking energy: -195.887
Base-Backbone interact. energy: 1.905
local terms energy: -335.231316
where:
bonds (distance) C4'-P energy: -110.796
bonds (distance) P-C4' energy: -91.709
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -50.052
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1943.905540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.905540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.905540 (E_RNA)
where:
Base-Base interactions energy: -1365.280
where: short stacking energy: -551.347
Base-Backbone interact. energy: -4.267
local terms energy: -574.358086
where:
bonds (distance) C4'-P energy: -96.973
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -120.182
flat angles P-C4'-P energy: -85.014
tors. eta vs tors. theta energy: -159.602
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: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1900.926929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.926929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.926929 (E_RNA)
where:
Base-Base interactions energy: -1354.492
where: short stacking energy: -545.889
Base-Backbone interact. energy: -3.325
local terms energy: -543.109898
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -99.747
flat angles C4'-P-C4' energy: -125.755
flat angles P-C4'-P energy: -79.457
tors. eta vs tors. theta energy: -150.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1789.098987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.098987 (E_RNA)
where:
Base-Base interactions energy: -1250.442
where: short stacking energy: -529.621
Base-Backbone interact. energy: -1.004
local terms energy: -537.652803
where:
bonds (distance) C4'-P energy: -93.948
bonds (distance) P-C4' energy: -107.334
flat angles C4'-P-C4' energy: -117.324
flat angles P-C4'-P energy: -74.500
tors. eta vs tors. theta energy: -144.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1738.955360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.955360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.955360 (E_RNA)
where:
Base-Base interactions energy: -1216.315
where: short stacking energy: -527.078
Base-Backbone interact. energy: 7.493
local terms energy: -530.133417
where:
bonds (distance) C4'-P energy: -98.463
bonds (distance) P-C4' energy: -101.347
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -73.318
tors. eta vs tors. theta energy: -139.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1644.612775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.612775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.612775 (E_RNA)
where:
Base-Base interactions energy: -1145.757
where: short stacking energy: -480.920
Base-Backbone interact. energy: -1.261
local terms energy: -497.594519
where:
bonds (distance) C4'-P energy: -78.692
bonds (distance) P-C4' energy: -99.275
flat angles C4'-P-C4' energy: -129.707
flat angles P-C4'-P energy: -64.270
tors. eta vs tors. theta energy: -125.651
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1485.586290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.586290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.586290 (E_RNA)
where:
Base-Base interactions energy: -1046.465
where: short stacking energy: -459.508
Base-Backbone interact. energy: -3.909
local terms energy: -435.211953
where:
bonds (distance) C4'-P energy: -79.102
bonds (distance) P-C4' energy: -76.742
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -60.673
tors. eta vs tors. theta energy: -114.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1355.852722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.852722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.852722 (E_RNA)
where:
Base-Base interactions energy: -942.913
where: short stacking energy: -383.310
Base-Backbone interact. energy: -2.072
local terms energy: -410.867733
where:
bonds (distance) C4'-P energy: -86.295
bonds (distance) P-C4' energy: -98.846
flat angles C4'-P-C4' energy: -89.275
flat angles P-C4'-P energy: -52.573
tors. eta vs tors. theta energy: -83.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1290.766112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.766112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.766112 (E_RNA)
where:
Base-Base interactions energy: -877.833
where: short stacking energy: -360.598
Base-Backbone interact. energy: 0.741
local terms energy: -413.674144
where:
bonds (distance) C4'-P energy: -73.507
bonds (distance) P-C4' energy: -108.608
flat angles C4'-P-C4' energy: -95.010
flat angles P-C4'-P energy: -65.920
tors. eta vs tors. theta energy: -70.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1006.244097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.244097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.244097 (E_RNA)
where:
Base-Base interactions energy: -638.366
where: short stacking energy: -281.541
Base-Backbone interact. energy: -1.095
local terms energy: -366.782906
where:
bonds (distance) C4'-P energy: -87.109
bonds (distance) P-C4' energy: -93.301
flat angles C4'-P-C4' energy: -89.971
flat angles P-C4'-P energy: -53.389
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -771.775935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.775935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.775935 (E_RNA)
where:
Base-Base interactions energy: -466.896
where: short stacking energy: -236.156
Base-Backbone interact. energy: 0.811
local terms energy: -305.690991
where:
bonds (distance) C4'-P energy: -66.243
bonds (distance) P-C4' energy: -77.843
flat angles C4'-P-C4' energy: -84.703
flat angles P-C4'-P energy: -47.518
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1963.148968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.148968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.148968 (E_RNA)
where:
Base-Base interactions energy: -1385.695
where: short stacking energy: -558.046
Base-Backbone interact. energy: -2.423
local terms energy: -575.031384
where:
bonds (distance) C4'-P energy: -108.289
bonds (distance) P-C4' energy: -111.599
flat angles C4'-P-C4' energy: -119.604
flat angles P-C4'-P energy: -81.422
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1895.547350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.547350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.547350 (E_RNA)
where:
Base-Base interactions energy: -1355.857
where: short stacking energy: -542.227
Base-Backbone interact. energy: -1.277
local terms energy: -538.413662
where:
bonds (distance) C4'-P energy: -93.955
bonds (distance) P-C4' energy: -102.653
flat angles C4'-P-C4' energy: -113.199
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -153.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1790.829855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.829855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.829855 (E_RNA)
where:
Base-Base interactions energy: -1262.991
where: short stacking energy: -510.884
Base-Backbone interact. energy: -3.099
local terms energy: -524.739895
where:
bonds (distance) C4'-P energy: -81.651
bonds (distance) P-C4' energy: -96.554
flat angles C4'-P-C4' energy: -113.259
flat angles P-C4'-P energy: -90.577
tors. eta vs tors. theta energy: -142.699
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: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1698.992179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.992179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.992179 (E_RNA)
where:
Base-Base interactions energy: -1181.980
where: short stacking energy: -491.993
Base-Backbone interact. energy: -1.667
local terms energy: -515.345848
where:
bonds (distance) C4'-P energy: -99.152
bonds (distance) P-C4' energy: -93.920
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -71.159
tors. eta vs tors. theta energy: -136.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1630.744312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.744312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.744312 (E_RNA)
where:
Base-Base interactions energy: -1118.730
where: short stacking energy: -477.308
Base-Backbone interact. energy: -0.222
local terms energy: -511.793251
where:
bonds (distance) C4'-P energy: -104.532
bonds (distance) P-C4' energy: -106.221
flat angles C4'-P-C4' energy: -97.612
flat angles P-C4'-P energy: -79.636
tors. eta vs tors. theta energy: -123.792
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: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1560.952611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.952611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.952611 (E_RNA)
where:
Base-Base interactions energy: -1071.066
where: short stacking energy: -455.048
Base-Backbone interact. energy: -0.668
local terms energy: -489.217916
where:
bonds (distance) C4'-P energy: -88.521
bonds (distance) P-C4' energy: -92.285
flat angles C4'-P-C4' energy: -120.442
flat angles P-C4'-P energy: -73.328
tors. eta vs tors. theta energy: -114.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1337.300742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.300742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.300742 (E_RNA)
where:
Base-Base interactions energy: -923.418
where: short stacking energy: -408.248
Base-Backbone interact. energy: -0.871
local terms energy: -413.012133
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -91.112
flat angles P-C4'-P energy: -68.320
tors. eta vs tors. theta energy: -89.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1267.737312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.737312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.737312 (E_RNA)
where:
Base-Base interactions energy: -853.229
where: short stacking energy: -352.415
Base-Backbone interact. energy: 0.014
local terms energy: -414.521408
where:
bonds (distance) C4'-P energy: -85.663
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -93.287
flat angles P-C4'-P energy: -72.753
tors. eta vs tors. theta energy: -65.131
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: 468
Temperature: 1.300000
Total energy: -1030.161204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.161204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.161204 (E_RNA)
where:
Base-Base interactions energy: -649.690
where: short stacking energy: -277.957
Base-Backbone interact. energy: -1.486
local terms energy: -378.985711
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -93.617
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -49.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -750.662373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.662373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.662373 (E_RNA)
where:
Base-Base interactions energy: -444.047
where: short stacking energy: -239.694
Base-Backbone interact. energy: 3.010
local terms energy: -309.625618
where:
bonds (distance) C4'-P energy: -69.171
bonds (distance) P-C4' energy: -77.822
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -22.434
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: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1960.173033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.173033 (E_RNA)
where:
Base-Base interactions energy: -1393.314
where: short stacking energy: -588.763
Base-Backbone interact. energy: -3.293
local terms energy: -563.566374
where:
bonds (distance) C4'-P energy: -108.526
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -117.780
flat angles P-C4'-P energy: -81.064
tors. eta vs tors. theta energy: -157.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1910.997780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.997780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.997780 (E_RNA)
where:
Base-Base interactions energy: -1347.072
where: short stacking energy: -538.962
Base-Backbone interact. energy: -2.216
local terms energy: -561.709536
where:
bonds (distance) C4'-P energy: -91.630
bonds (distance) P-C4' energy: -116.238
flat angles C4'-P-C4' energy: -115.397
flat angles P-C4'-P energy: -89.242
tors. eta vs tors. theta energy: -149.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1808.429807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.429807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.429807 (E_RNA)
where:
Base-Base interactions energy: -1280.554
where: short stacking energy: -540.077
Base-Backbone interact. energy: 1.225
local terms energy: -529.101034
where:
bonds (distance) C4'-P energy: -104.384
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -110.994
flat angles P-C4'-P energy: -78.540
tors. eta vs tors. theta energy: -148.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1744.960787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.960787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.960787 (E_RNA)
where:
Base-Base interactions energy: -1217.466
where: short stacking energy: -520.526
Base-Backbone interact. energy: -2.507
local terms energy: -524.987492
where:
bonds (distance) C4'-P energy: -96.228
bonds (distance) P-C4' energy: -106.526
flat angles C4'-P-C4' energy: -112.737
flat angles P-C4'-P energy: -69.872
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: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1612.461042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.461042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.461042 (E_RNA)
where:
Base-Base interactions energy: -1140.888
where: short stacking energy: -475.960
Base-Backbone interact. energy: -0.468
local terms energy: -471.105412
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -86.619
flat angles C4'-P-C4' energy: -106.649
flat angles P-C4'-P energy: -71.556
tors. eta vs tors. theta energy: -116.430
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1535.009516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.009516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.009516 (E_RNA)
where:
Base-Base interactions energy: -1062.455
where: short stacking energy: -443.223
Base-Backbone interact. energy: 3.013
local terms energy: -475.567478
where:
bonds (distance) C4'-P energy: -96.944
bonds (distance) P-C4' energy: -100.842
flat angles C4'-P-C4' energy: -93.839
flat angles P-C4'-P energy: -69.294
tors. eta vs tors. theta energy: -114.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1345.204917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.204917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.204917 (E_RNA)
where:
Base-Base interactions energy: -906.624
where: short stacking energy: -397.647
Base-Backbone interact. energy: -1.030
local terms energy: -437.550234
where:
bonds (distance) C4'-P energy: -90.246
bonds (distance) P-C4' energy: -96.204
flat angles C4'-P-C4' energy: -87.536
flat angles P-C4'-P energy: -64.773
tors. eta vs tors. theta energy: -98.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1260.565156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.565156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.565156 (E_RNA)
where:
Base-Base interactions energy: -846.904
where: short stacking energy: -354.788
Base-Backbone interact. energy: -1.189
local terms energy: -412.472439
where:
bonds (distance) C4'-P energy: -90.016
bonds (distance) P-C4' energy: -102.375
flat angles C4'-P-C4' energy: -92.729
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -85.488
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: 469
Temperature: 1.300000
Total energy: -961.829550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.829550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.829550 (E_RNA)
where:
Base-Base interactions energy: -607.931
where: short stacking energy: -287.206
Base-Backbone interact. energy: 2.582
local terms energy: -356.480144
where:
bonds (distance) C4'-P energy: -66.859
bonds (distance) P-C4' energy: -84.074
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -57.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -732.096644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.096644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.096644 (E_RNA)
where:
Base-Base interactions energy: -410.300
where: short stacking energy: -237.637
Base-Backbone interact. energy: -2.106
local terms energy: -319.689955
where:
bonds (distance) C4'-P energy: -78.880
bonds (distance) P-C4' energy: -93.634
flat angles C4'-P-C4' energy: -87.362
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1963.035407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.035407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.035407 (E_RNA)
where:
Base-Base interactions energy: -1383.952
where: short stacking energy: -567.096
Base-Backbone interact. energy: -5.716
local terms energy: -573.367295
where:
bonds (distance) C4'-P energy: -97.054
bonds (distance) P-C4' energy: -101.862
flat angles C4'-P-C4' energy: -121.602
flat angles P-C4'-P energy: -98.922
tors. eta vs tors. theta energy: -153.928
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1937.693304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.693304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.693304 (E_RNA)
where:
Base-Base interactions energy: -1394.009
where: short stacking energy: -543.959
Base-Backbone interact. energy: -3.506
local terms energy: -540.178224
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -100.793
flat angles C4'-P-C4' energy: -121.504
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -141.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1793.943039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.943039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.943039 (E_RNA)
where:
Base-Base interactions energy: -1245.750
where: short stacking energy: -542.852
Base-Backbone interact. energy: -2.754
local terms energy: -545.438802
where:
bonds (distance) C4'-P energy: -95.845
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -120.615
flat angles P-C4'-P energy: -79.673
tors. eta vs tors. theta energy: -145.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1735.576398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.576398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.576398 (E_RNA)
where:
Base-Base interactions energy: -1205.737
where: short stacking energy: -519.294
Base-Backbone interact. energy: -1.419
local terms energy: -528.421027
where:
bonds (distance) C4'-P energy: -93.093
bonds (distance) P-C4' energy: -108.297
flat angles C4'-P-C4' energy: -107.857
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -150.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1646.340317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.340317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.340317 (E_RNA)
where:
Base-Base interactions energy: -1150.256
where: short stacking energy: -475.629
Base-Backbone interact. energy: 1.921
local terms energy: -498.005541
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -104.517
flat angles C4'-P-C4' energy: -106.016
flat angles P-C4'-P energy: -74.214
tors. eta vs tors. theta energy: -123.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1544.428241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.428241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.428241 (E_RNA)
where:
Base-Base interactions energy: -1066.950
where: short stacking energy: -474.820
Base-Backbone interact. energy: -1.018
local terms energy: -476.460779
where:
bonds (distance) C4'-P energy: -84.558
bonds (distance) P-C4' energy: -82.442
flat angles C4'-P-C4' energy: -109.601
flat angles P-C4'-P energy: -71.451
tors. eta vs tors. theta energy: -128.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1314.218772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.218772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.218772 (E_RNA)
where:
Base-Base interactions energy: -865.209
where: short stacking energy: -364.747
Base-Backbone interact. energy: 0.902
local terms energy: -449.911924
where:
bonds (distance) C4'-P energy: -105.927
bonds (distance) P-C4' energy: -103.394
flat angles C4'-P-C4' energy: -98.604
flat angles P-C4'-P energy: -50.246
tors. eta vs tors. theta energy: -91.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1275.358024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.358024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.358024 (E_RNA)
where:
Base-Base interactions energy: -846.837
where: short stacking energy: -352.733
Base-Backbone interact. energy: 0.184
local terms energy: -428.705014
where:
bonds (distance) C4'-P energy: -96.023
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -92.595
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -79.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -974.284515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.284515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.284515 (E_RNA)
where:
Base-Base interactions energy: -632.712
where: short stacking energy: -298.618
Base-Backbone interact. energy: 1.095
local terms energy: -342.666923
where:
bonds (distance) C4'-P energy: -88.513
bonds (distance) P-C4' energy: -86.191
flat angles C4'-P-C4' energy: -81.181
flat angles P-C4'-P energy: -57.617
tors. eta vs tors. theta energy: -29.165
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: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -708.406897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.406897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.406897 (E_RNA)
where:
Base-Base interactions energy: -403.660
where: short stacking energy: -211.015
Base-Backbone interact. energy: -2.794
local terms energy: -301.952635
where:
bonds (distance) C4'-P energy: -76.401
bonds (distance) P-C4' energy: -78.164
flat angles C4'-P-C4' energy: -84.695
flat angles P-C4'-P energy: -48.090
tors. eta vs tors. theta energy: -14.603
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: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1973.428361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.428361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.428361 (E_RNA)
where:
Base-Base interactions energy: -1374.315
where: short stacking energy: -572.282
Base-Backbone interact. energy: -3.182
local terms energy: -595.930971
where:
bonds (distance) C4'-P energy: -114.604
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -128.715
flat angles P-C4'-P energy: -84.781
tors. eta vs tors. theta energy: -154.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1929.250656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.250656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.250656 (E_RNA)
where:
Base-Base interactions energy: -1365.785
where: short stacking energy: -556.040
Base-Backbone interact. energy: -4.621
local terms energy: -558.844369
where:
bonds (distance) C4'-P energy: -103.386
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -117.323
flat angles P-C4'-P energy: -79.775
tors. eta vs tors. theta energy: -156.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1816.619679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.619679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.619679 (E_RNA)
where:
Base-Base interactions energy: -1277.337
where: short stacking energy: -550.210
Base-Backbone interact. energy: 0.724
local terms energy: -540.006589
where:
bonds (distance) C4'-P energy: -85.496
bonds (distance) P-C4' energy: -102.858
flat angles C4'-P-C4' energy: -121.655
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -147.829
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: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1670.896896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.896896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.896896 (E_RNA)
where:
Base-Base interactions energy: -1187.453
where: short stacking energy: -501.851
Base-Backbone interact. energy: 0.857
local terms energy: -484.300391
where:
bonds (distance) C4'-P energy: -93.173
bonds (distance) P-C4' energy: -83.650
flat angles C4'-P-C4' energy: -110.580
flat angles P-C4'-P energy: -57.105
tors. eta vs tors. theta energy: -139.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1684.183201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.183201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.183201 (E_RNA)
where:
Base-Base interactions energy: -1184.879
where: short stacking energy: -497.011
Base-Backbone interact. energy: -2.838
local terms energy: -496.465760
where:
bonds (distance) C4'-P energy: -101.109
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -118.299
flat angles P-C4'-P energy: -61.404
tors. eta vs tors. theta energy: -124.953
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1520.858986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.858986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.858986 (E_RNA)
where:
Base-Base interactions energy: -1059.582
where: short stacking energy: -432.324
Base-Backbone interact. energy: -2.824
local terms energy: -458.452643
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -102.446
flat angles C4'-P-C4' energy: -92.219
flat angles P-C4'-P energy: -63.112
tors. eta vs tors. theta energy: -108.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1347.077271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.077271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.077271 (E_RNA)
where:
Base-Base interactions energy: -918.039
where: short stacking energy: -375.051
Base-Backbone interact. energy: -1.551
local terms energy: -427.486947
where:
bonds (distance) C4'-P energy: -87.754
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -101.740
flat angles P-C4'-P energy: -64.265
tors. eta vs tors. theta energy: -75.832
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: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1312.221485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.221485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.221485 (E_RNA)
where:
Base-Base interactions energy: -885.831
where: short stacking energy: -382.635
Base-Backbone interact. energy: -0.605
local terms energy: -425.785048
where:
bonds (distance) C4'-P energy: -86.608
bonds (distance) P-C4' energy: -97.062
flat angles C4'-P-C4' energy: -90.708
flat angles P-C4'-P energy: -52.307
tors. eta vs tors. theta energy: -99.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1042.537387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.537387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.537387 (E_RNA)
where:
Base-Base interactions energy: -669.823
where: short stacking energy: -319.168
Base-Backbone interact. energy: 7.318
local terms energy: -380.032096
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -94.127
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -65.879
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: 471
Temperature: 1.350000
Total energy: -722.341006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.341006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.341006 (E_RNA)
where:
Base-Base interactions energy: -424.266
where: short stacking energy: -213.163
Base-Backbone interact. energy: 1.113
local terms energy: -299.188183
where:
bonds (distance) C4'-P energy: -93.672
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -89.244
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -14.186
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: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1933.192562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.192562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.192562 (E_RNA)
where:
Base-Base interactions energy: -1370.095
where: short stacking energy: -555.284
Base-Backbone interact. energy: -3.597
local terms energy: -559.500006
where:
bonds (distance) C4'-P energy: -109.352
bonds (distance) P-C4' energy: -92.823
flat angles C4'-P-C4' energy: -116.917
flat angles P-C4'-P energy: -98.825
tors. eta vs tors. theta energy: -141.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1926.605299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.605299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.605299 (E_RNA)
where:
Base-Base interactions energy: -1363.364
where: short stacking energy: -545.575
Base-Backbone interact. energy: -4.547
local terms energy: -558.693475
where:
bonds (distance) C4'-P energy: -99.761
bonds (distance) P-C4' energy: -113.930
flat angles C4'-P-C4' energy: -118.572
flat angles P-C4'-P energy: -74.899
tors. eta vs tors. theta energy: -151.531
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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1780.885540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.885540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.885540 (E_RNA)
where:
Base-Base interactions energy: -1226.648
where: short stacking energy: -525.104
Base-Backbone interact. energy: -1.306
local terms energy: -552.931712
where:
bonds (distance) C4'-P energy: -103.181
bonds (distance) P-C4' energy: -118.073
flat angles C4'-P-C4' energy: -112.085
flat angles P-C4'-P energy: -71.460
tors. eta vs tors. theta energy: -148.132
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: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1675.394843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.394843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.394843 (E_RNA)
where:
Base-Base interactions energy: -1152.866
where: short stacking energy: -482.409
Base-Backbone interact. energy: -0.843
local terms energy: -521.685834
where:
bonds (distance) C4'-P energy: -97.590
bonds (distance) P-C4' energy: -102.084
flat angles C4'-P-C4' energy: -110.754
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -126.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1659.887205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.887205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.887205 (E_RNA)
where:
Base-Base interactions energy: -1189.855
where: short stacking energy: -468.928
Base-Backbone interact. energy: -0.920
local terms energy: -469.111622
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -103.889
flat angles C4'-P-C4' energy: -110.968
flat angles P-C4'-P energy: -59.070
tors. eta vs tors. theta energy: -122.261
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1535.941151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.941151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.941151 (E_RNA)
where:
Base-Base interactions energy: -1051.307
where: short stacking energy: -443.810
Base-Backbone interact. energy: -2.362
local terms energy: -482.272192
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -94.798
flat angles C4'-P-C4' energy: -109.354
flat angles P-C4'-P energy: -61.264
tors. eta vs tors. theta energy: -117.273
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1357.023210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.023210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.023210 (E_RNA)
where:
Base-Base interactions energy: -913.300
where: short stacking energy: -382.007
Base-Backbone interact. energy: -0.915
local terms energy: -442.807879
where:
bonds (distance) C4'-P energy: -79.693
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -104.673
flat angles P-C4'-P energy: -67.132
tors. eta vs tors. theta energy: -91.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1324.918793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.918793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.918793 (E_RNA)
where:
Base-Base interactions energy: -883.401
where: short stacking energy: -382.505
Base-Backbone interact. energy: -1.388
local terms energy: -440.129427
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -100.033
flat angles C4'-P-C4' energy: -101.428
flat angles P-C4'-P energy: -57.866
tors. eta vs tors. theta energy: -101.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1010.554241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.554241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.554241 (E_RNA)
where:
Base-Base interactions energy: -673.251
where: short stacking energy: -312.646
Base-Backbone interact. energy: 1.212
local terms energy: -338.515606
where:
bonds (distance) C4'-P energy: -73.946
bonds (distance) P-C4' energy: -85.825
flat angles C4'-P-C4' energy: -67.423
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -61.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -711.075330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.075330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.075330 (E_RNA)
where:
Base-Base interactions energy: -396.883
where: short stacking energy: -208.745
Base-Backbone interact. energy: -1.301
local terms energy: -312.891011
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -101.330
flat angles C4'-P-C4' energy: -92.034
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1952.029086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.029086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.029086 (E_RNA)
where:
Base-Base interactions energy: -1394.483
where: short stacking energy: -562.035
Base-Backbone interact. energy: -5.267
local terms energy: -552.279084
where:
bonds (distance) C4'-P energy: -99.342
bonds (distance) P-C4' energy: -114.984
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -153.563
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: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1936.328873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.328873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.328873 (E_RNA)
where:
Base-Base interactions energy: -1386.921
where: short stacking energy: -560.235
Base-Backbone interact. energy: -4.167
local terms energy: -545.241049
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -98.265
flat angles C4'-P-C4' energy: -122.285
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -149.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1793.364727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.364727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.364727 (E_RNA)
where:
Base-Base interactions energy: -1239.053
where: short stacking energy: -539.773
Base-Backbone interact. energy: -1.769
local terms energy: -552.542365
where:
bonds (distance) C4'-P energy: -93.334
bonds (distance) P-C4' energy: -95.379
flat angles C4'-P-C4' energy: -125.288
flat angles P-C4'-P energy: -89.503
tors. eta vs tors. theta energy: -149.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1750.633165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.633165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.633165 (E_RNA)
where:
Base-Base interactions energy: -1215.902
where: short stacking energy: -497.334
Base-Backbone interact. energy: -0.361
local terms energy: -534.369559
where:
bonds (distance) C4'-P energy: -102.312
bonds (distance) P-C4' energy: -114.970
flat angles C4'-P-C4' energy: -116.993
flat angles P-C4'-P energy: -64.385
tors. eta vs tors. theta energy: -135.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1613.898849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.898849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.898849 (E_RNA)
where:
Base-Base interactions energy: -1131.019
where: short stacking energy: -462.645
Base-Backbone interact. energy: -4.505
local terms energy: -478.375068
where:
bonds (distance) C4'-P energy: -87.094
bonds (distance) P-C4' energy: -77.132
flat angles C4'-P-C4' energy: -118.402
flat angles P-C4'-P energy: -69.688
tors. eta vs tors. theta energy: -126.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1509.707608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.707608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.707608 (E_RNA)
where:
Base-Base interactions energy: -1049.542
where: short stacking energy: -436.356
Base-Backbone interact. energy: -4.048
local terms energy: -456.117170
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -100.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1349.614336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.614336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.614336 (E_RNA)
where:
Base-Base interactions energy: -937.373
where: short stacking energy: -380.325
Base-Backbone interact. energy: -2.084
local terms energy: -410.157628
where:
bonds (distance) C4'-P energy: -84.629
bonds (distance) P-C4' energy: -106.684
flat angles C4'-P-C4' energy: -97.596
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -74.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1264.003675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.003675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.003675 (E_RNA)
where:
Base-Base interactions energy: -845.609
where: short stacking energy: -370.493
Base-Backbone interact. energy: -2.904
local terms energy: -415.490859
where:
bonds (distance) C4'-P energy: -87.343
bonds (distance) P-C4' energy: -82.911
flat angles C4'-P-C4' energy: -110.430
flat angles P-C4'-P energy: -60.735
tors. eta vs tors. theta energy: -74.072
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -991.191590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.191590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.191590 (E_RNA)
where:
Base-Base interactions energy: -618.962
where: short stacking energy: -266.721
Base-Backbone interact. energy: 0.743
local terms energy: -372.973184
where:
bonds (distance) C4'-P energy: -100.240
bonds (distance) P-C4' energy: -99.316
flat angles C4'-P-C4' energy: -73.996
flat angles P-C4'-P energy: -54.463
tors. eta vs tors. theta energy: -44.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -684.403925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.403925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.403925 (E_RNA)
where:
Base-Base interactions energy: -385.635
where: short stacking energy: -215.672
Base-Backbone interact. energy: 8.835
local terms energy: -307.603692
where:
bonds (distance) C4'-P energy: -81.659
bonds (distance) P-C4' energy: -91.634
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1965.350729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.350729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.350729 (E_RNA)
where:
Base-Base interactions energy: -1395.323
where: short stacking energy: -564.070
Base-Backbone interact. energy: -5.178
local terms energy: -564.849210
where:
bonds (distance) C4'-P energy: -105.104
bonds (distance) P-C4' energy: -110.133
flat angles C4'-P-C4' energy: -123.286
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: -147.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1912.638553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.638553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.638553 (E_RNA)
where:
Base-Base interactions energy: -1361.953
where: short stacking energy: -556.964
Base-Backbone interact. energy: 2.450
local terms energy: -553.136100
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -99.857
flat angles C4'-P-C4' energy: -113.436
flat angles P-C4'-P energy: -93.883
tors. eta vs tors. theta energy: -155.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1780.060765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.060765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.060765 (E_RNA)
where:
Base-Base interactions energy: -1267.124
where: short stacking energy: -517.531
Base-Backbone interact. energy: -0.017
local terms energy: -512.919927
where:
bonds (distance) C4'-P energy: -96.302
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -72.991
tors. eta vs tors. theta energy: -132.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1699.712746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.712746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.712746 (E_RNA)
where:
Base-Base interactions energy: -1179.631
where: short stacking energy: -496.643
Base-Backbone interact. energy: -3.118
local terms energy: -516.963130
where:
bonds (distance) C4'-P energy: -100.856
bonds (distance) P-C4' energy: -98.602
flat angles C4'-P-C4' energy: -106.991
flat angles P-C4'-P energy: -84.032
tors. eta vs tors. theta energy: -126.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1590.803013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.803013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.803013 (E_RNA)
where:
Base-Base interactions energy: -1076.878
where: short stacking energy: -427.030
Base-Backbone interact. energy: -2.786
local terms energy: -511.139216
where:
bonds (distance) C4'-P energy: -101.789
bonds (distance) P-C4' energy: -103.238
flat angles C4'-P-C4' energy: -121.259
flat angles P-C4'-P energy: -71.282
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1541.823651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.823651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.823651 (E_RNA)
where:
Base-Base interactions energy: -1109.684
where: short stacking energy: -483.473
Base-Backbone interact. energy: 0.539
local terms energy: -432.678731
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -80.808
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -49.997
tors. eta vs tors. theta energy: -118.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1331.252126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.252126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.252126 (E_RNA)
where:
Base-Base interactions energy: -904.030
where: short stacking energy: -404.508
Base-Backbone interact. energy: 1.004
local terms energy: -428.226214
where:
bonds (distance) C4'-P energy: -83.645
bonds (distance) P-C4' energy: -87.831
flat angles C4'-P-C4' energy: -104.919
flat angles P-C4'-P energy: -63.086
tors. eta vs tors. theta energy: -88.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1280.072628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.072628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.072628 (E_RNA)
where:
Base-Base interactions energy: -863.940
where: short stacking energy: -371.835
Base-Backbone interact. energy: -1.780
local terms energy: -414.352933
where:
bonds (distance) C4'-P energy: -82.600
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -98.248
flat angles P-C4'-P energy: -62.082
tors. eta vs tors. theta energy: -85.557
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: 474
Temperature: 1.300000
Total energy: -1030.858565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.858565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.858565 (E_RNA)
where:
Base-Base interactions energy: -670.191
where: short stacking energy: -313.956
Base-Backbone interact. energy: -1.187
local terms energy: -359.480263
where:
bonds (distance) C4'-P energy: -82.188
bonds (distance) P-C4' energy: -92.348
flat angles C4'-P-C4' energy: -85.785
flat angles P-C4'-P energy: -52.789
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -685.789635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.789635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.789635 (E_RNA)
where:
Base-Base interactions energy: -387.731
where: short stacking energy: -189.118
Base-Backbone interact. energy: 0.388
local terms energy: -298.446104
where:
bonds (distance) C4'-P energy: -79.686
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -8.246
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: 475
Temperature: 0.900000
Total energy: -1950.987849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.987849 (E_RNA)
where:
Base-Base interactions energy: -1392.960
where: short stacking energy: -561.823
Base-Backbone interact. energy: -4.779
local terms energy: -553.248554
where:
bonds (distance) C4'-P energy: -89.955
bonds (distance) P-C4' energy: -107.114
flat angles C4'-P-C4' energy: -124.774
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -148.158
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: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1901.678731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.678731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.678731 (E_RNA)
where:
Base-Base interactions energy: -1329.419
where: short stacking energy: -547.834
Base-Backbone interact. energy: -0.332
local terms energy: -571.927604
where:
bonds (distance) C4'-P energy: -114.295
bonds (distance) P-C4' energy: -109.685
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -87.874
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: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1743.139976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.139976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.139976 (E_RNA)
where:
Base-Base interactions energy: -1213.568
where: short stacking energy: -481.603
Base-Backbone interact. energy: -0.484
local terms energy: -529.087844
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -102.917
flat angles C4'-P-C4' energy: -113.937
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -133.548
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: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1694.135360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.135360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.135360 (E_RNA)
where:
Base-Base interactions energy: -1195.796
where: short stacking energy: -497.445
Base-Backbone interact. energy: -1.746
local terms energy: -496.593792
where:
bonds (distance) C4'-P energy: -107.093
bonds (distance) P-C4' energy: -84.747
flat angles C4'-P-C4' energy: -108.981
flat angles P-C4'-P energy: -70.241
tors. eta vs tors. theta energy: -125.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1601.648785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.648785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.648785 (E_RNA)
where:
Base-Base interactions energy: -1114.556
where: short stacking energy: -483.659
Base-Backbone interact. energy: -1.276
local terms energy: -485.817014
where:
bonds (distance) C4'-P energy: -91.975
bonds (distance) P-C4' energy: -103.103
flat angles C4'-P-C4' energy: -108.255
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -118.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1583.024114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.024114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.024114 (E_RNA)
where:
Base-Base interactions energy: -1077.629
where: short stacking energy: -461.295
Base-Backbone interact. energy: -0.625
local terms energy: -504.769720
where:
bonds (distance) C4'-P energy: -85.137
bonds (distance) P-C4' energy: -99.919
flat angles C4'-P-C4' energy: -108.784
flat angles P-C4'-P energy: -79.073
tors. eta vs tors. theta energy: -131.856
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: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1356.356628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.356628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.356628 (E_RNA)
where:
Base-Base interactions energy: -927.964
where: short stacking energy: -411.486
Base-Backbone interact. energy: -3.091
local terms energy: -425.301462
where:
bonds (distance) C4'-P energy: -91.846
bonds (distance) P-C4' energy: -69.186
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -66.428
tors. eta vs tors. theta energy: -98.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1273.010032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.010032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.010032 (E_RNA)
where:
Base-Base interactions energy: -860.645
where: short stacking energy: -376.452
Base-Backbone interact. energy: -0.123
local terms energy: -412.241874
where:
bonds (distance) C4'-P energy: -92.085
bonds (distance) P-C4' energy: -85.912
flat angles C4'-P-C4' energy: -96.710
flat angles P-C4'-P energy: -59.920
tors. eta vs tors. theta energy: -77.615
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1005.702416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.702416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.702416 (E_RNA)
where:
Base-Base interactions energy: -635.814
where: short stacking energy: -306.054
Base-Backbone interact. energy: 0.717
local terms energy: -370.605579
where:
bonds (distance) C4'-P energy: -86.533
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -84.198
flat angles P-C4'-P energy: -54.319
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -760.589930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.589930 (E_RNA)
where:
Base-Base interactions energy: -444.066
where: short stacking energy: -220.644
Base-Backbone interact. energy: 4.356
local terms energy: -320.879470
where:
bonds (distance) C4'-P energy: -71.422
bonds (distance) P-C4' energy: -78.175
flat angles C4'-P-C4' energy: -87.679
flat angles P-C4'-P energy: -62.955
tors. eta vs tors. theta energy: -20.649
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: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1996.935941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.935941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.935941 (E_RNA)
where:
Base-Base interactions energy: -1417.077
where: short stacking energy: -556.964
Base-Backbone interact. energy: -4.135
local terms energy: -575.724474
where:
bonds (distance) C4'-P energy: -111.458
bonds (distance) P-C4' energy: -113.671
flat angles C4'-P-C4' energy: -123.492
flat angles P-C4'-P energy: -81.622
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: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1905.115805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.115805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.115805 (E_RNA)
where:
Base-Base interactions energy: -1356.672
where: short stacking energy: -566.748
Base-Backbone interact. energy: -4.425
local terms energy: -544.018834
where:
bonds (distance) C4'-P energy: -97.522
bonds (distance) P-C4' energy: -81.675
flat angles C4'-P-C4' energy: -122.641
flat angles P-C4'-P energy: -86.696
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: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1784.876184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.876184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.876184 (E_RNA)
where:
Base-Base interactions energy: -1248.229
where: short stacking energy: -510.520
Base-Backbone interact. energy: -3.476
local terms energy: -533.170936
where:
bonds (distance) C4'-P energy: -100.163
bonds (distance) P-C4' energy: -102.026
flat angles C4'-P-C4' energy: -113.013
flat angles P-C4'-P energy: -83.870
tors. eta vs tors. theta energy: -134.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1710.466471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.466471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.466471 (E_RNA)
where:
Base-Base interactions energy: -1192.623
where: short stacking energy: -491.836
Base-Backbone interact. energy: -1.745
local terms energy: -516.098263
where:
bonds (distance) C4'-P energy: -103.799
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -112.057
flat angles P-C4'-P energy: -58.437
tors. eta vs tors. theta energy: -131.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1654.500058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.500058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.500058 (E_RNA)
where:
Base-Base interactions energy: -1157.862
where: short stacking energy: -499.380
Base-Backbone interact. energy: -0.968
local terms energy: -495.669818
where:
bonds (distance) C4'-P energy: -84.912
bonds (distance) P-C4' energy: -90.993
flat angles C4'-P-C4' energy: -108.917
flat angles P-C4'-P energy: -76.741
tors. eta vs tors. theta energy: -134.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1606.207128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.207128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.207128 (E_RNA)
where:
Base-Base interactions energy: -1105.999
where: short stacking energy: -453.376
Base-Backbone interact. energy: -3.132
local terms energy: -497.076752
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -96.470
flat angles C4'-P-C4' energy: -111.164
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -105.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1379.798860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.798860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.798860 (E_RNA)
where:
Base-Base interactions energy: -946.964
where: short stacking energy: -415.966
Base-Backbone interact. energy: -2.270
local terms energy: -430.564437
where:
bonds (distance) C4'-P energy: -96.259
bonds (distance) P-C4' energy: -69.635
flat angles C4'-P-C4' energy: -92.714
flat angles P-C4'-P energy: -72.845
tors. eta vs tors. theta energy: -99.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1243.266392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.266392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.266392 (E_RNA)
where:
Base-Base interactions energy: -859.186
where: short stacking energy: -365.432
Base-Backbone interact. energy: 0.953
local terms energy: -385.033069
where:
bonds (distance) C4'-P energy: -81.151
bonds (distance) P-C4' energy: -93.168
flat angles C4'-P-C4' energy: -79.453
flat angles P-C4'-P energy: -60.611
tors. eta vs tors. theta energy: -70.651
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: 476
Temperature: 1.300000
Total energy: -1010.552524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.552524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.552524 (E_RNA)
where:
Base-Base interactions energy: -659.142
where: short stacking energy: -300.567
Base-Backbone interact. energy: -1.433
local terms energy: -349.977602
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -96.002
flat angles P-C4'-P energy: -65.140
tors. eta vs tors. theta energy: -49.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -782.711078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.711078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.711078 (E_RNA)
where:
Base-Base interactions energy: -442.469
where: short stacking energy: -223.373
Base-Backbone interact. energy: -1.757
local terms energy: -338.485498
where:
bonds (distance) C4'-P energy: -74.001
bonds (distance) P-C4' energy: -85.601
flat angles C4'-P-C4' energy: -98.436
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1969.297587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.297587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.297587 (E_RNA)
where:
Base-Base interactions energy: -1402.451
where: short stacking energy: -568.319
Base-Backbone interact. energy: -0.848
local terms energy: -565.997797
where:
bonds (distance) C4'-P energy: -100.543
bonds (distance) P-C4' energy: -98.625
flat angles C4'-P-C4' energy: -125.908
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -156.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1884.198989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.198989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.198989 (E_RNA)
where:
Base-Base interactions energy: -1359.360
where: short stacking energy: -532.746
Base-Backbone interact. energy: -4.237
local terms energy: -520.602248
where:
bonds (distance) C4'-P energy: -92.601
bonds (distance) P-C4' energy: -93.236
flat angles C4'-P-C4' energy: -117.269
flat angles P-C4'-P energy: -79.442
tors. eta vs tors. theta energy: -138.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1802.247115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.247115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.247115 (E_RNA)
where:
Base-Base interactions energy: -1266.328
where: short stacking energy: -527.707
Base-Backbone interact. energy: -2.891
local terms energy: -533.027844
where:
bonds (distance) C4'-P energy: -94.276
bonds (distance) P-C4' energy: -107.924
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -77.921
tors. eta vs tors. theta energy: -137.500
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1694.051350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.051350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.051350 (E_RNA)
where:
Base-Base interactions energy: -1165.622
where: short stacking energy: -497.843
Base-Backbone interact. energy: -2.392
local terms energy: -526.037758
where:
bonds (distance) C4'-P energy: -99.311
bonds (distance) P-C4' energy: -102.152
flat angles C4'-P-C4' energy: -116.220
flat angles P-C4'-P energy: -74.922
tors. eta vs tors. theta energy: -133.433
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: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1627.973539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.973539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.973539 (E_RNA)
where:
Base-Base interactions energy: -1138.865
where: short stacking energy: -470.171
Base-Backbone interact. energy: -0.821
local terms energy: -488.287602
where:
bonds (distance) C4'-P energy: -90.037
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -115.105
flat angles P-C4'-P energy: -70.486
tors. eta vs tors. theta energy: -117.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1596.469655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.469655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.469655 (E_RNA)
where:
Base-Base interactions energy: -1120.586
where: short stacking energy: -437.855
Base-Backbone interact. energy: -2.045
local terms energy: -473.838545
where:
bonds (distance) C4'-P energy: -91.979
bonds (distance) P-C4' energy: -99.635
flat angles C4'-P-C4' energy: -105.532
flat angles P-C4'-P energy: -66.216
tors. eta vs tors. theta energy: -110.477
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: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1359.388800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.388800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.388800 (E_RNA)
where:
Base-Base interactions energy: -917.669
where: short stacking energy: -401.277
Base-Backbone interact. energy: 0.372
local terms energy: -442.091499
where:
bonds (distance) C4'-P energy: -88.756
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -58.381
tors. eta vs tors. theta energy: -101.980
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1307.899499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.899499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.899499 (E_RNA)
where:
Base-Base interactions energy: -884.758
where: short stacking energy: -370.611
Base-Backbone interact. energy: -1.165
local terms energy: -421.976941
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -100.947
flat angles P-C4'-P energy: -65.186
tors. eta vs tors. theta energy: -80.024
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: 477
Temperature: 1.300000
Total energy: -968.953457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.953457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.953457 (E_RNA)
where:
Base-Base interactions energy: -620.770
where: short stacking energy: -302.101
Base-Backbone interact. energy: -0.173
local terms energy: -348.010652
where:
bonds (distance) C4'-P energy: -86.344
bonds (distance) P-C4' energy: -74.308
flat angles C4'-P-C4' energy: -86.652
flat angles P-C4'-P energy: -48.134
tors. eta vs tors. theta energy: -52.573
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: 477
Temperature: 1.350000
Total energy: -707.016941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.016941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.016941 (E_RNA)
where:
Base-Base interactions energy: -395.204
where: short stacking energy: -207.972
Base-Backbone interact. energy: 1.123
local terms energy: -312.936031
where:
bonds (distance) C4'-P energy: -74.456
bonds (distance) P-C4' energy: -92.108
flat angles C4'-P-C4' energy: -71.880
flat angles P-C4'-P energy: -45.109
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1978.586028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.586028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.586028 (E_RNA)
where:
Base-Base interactions energy: -1390.074
where: short stacking energy: -567.091
Base-Backbone interact. energy: -0.703
local terms energy: -587.809241
where:
bonds (distance) C4'-P energy: -104.929
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -132.892
flat angles P-C4'-P energy: -84.622
tors. eta vs tors. theta energy: -155.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1907.027447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.027447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.027447 (E_RNA)
where:
Base-Base interactions energy: -1346.253
where: short stacking energy: -567.945
Base-Backbone interact. energy: -2.161
local terms energy: -558.612969
where:
bonds (distance) C4'-P energy: -104.505
bonds (distance) P-C4' energy: -103.537
flat angles C4'-P-C4' energy: -115.258
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -158.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1787.664756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.664756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.664756 (E_RNA)
where:
Base-Base interactions energy: -1262.417
where: short stacking energy: -505.291
Base-Backbone interact. energy: 2.234
local terms energy: -527.482096
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -104.615
flat angles C4'-P-C4' energy: -119.192
flat angles P-C4'-P energy: -70.713
tors. eta vs tors. theta energy: -134.745
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: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1711.053058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.053058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.053058 (E_RNA)
where:
Base-Base interactions energy: -1164.451
where: short stacking energy: -481.246
Base-Backbone interact. energy: -3.958
local terms energy: -542.644691
where:
bonds (distance) C4'-P energy: -104.171
bonds (distance) P-C4' energy: -107.705
flat angles C4'-P-C4' energy: -108.823
flat angles P-C4'-P energy: -91.764
tors. eta vs tors. theta energy: -130.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1632.131544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.131544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.131544 (E_RNA)
where:
Base-Base interactions energy: -1126.802
where: short stacking energy: -475.332
Base-Backbone interact. energy: -2.132
local terms energy: -503.197608
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -107.737
flat angles C4'-P-C4' energy: -103.783
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -130.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1599.023891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.023891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.023891 (E_RNA)
where:
Base-Base interactions energy: -1113.166
where: short stacking energy: -473.861
Base-Backbone interact. energy: -4.799
local terms energy: -481.059070
where:
bonds (distance) C4'-P energy: -87.449
bonds (distance) P-C4' energy: -89.653
flat angles C4'-P-C4' energy: -116.284
flat angles P-C4'-P energy: -62.718
tors. eta vs tors. theta energy: -124.955
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: 478
Temperature: 1.200000
Total energy: -1350.500166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.500166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.500166 (E_RNA)
where:
Base-Base interactions energy: -897.606
where: short stacking energy: -387.747
Base-Backbone interact. energy: -1.416
local terms energy: -451.477876
where:
bonds (distance) C4'-P energy: -96.593
bonds (distance) P-C4' energy: -108.085
flat angles C4'-P-C4' energy: -100.351
flat angles P-C4'-P energy: -58.993
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1288.223868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.223868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.223868 (E_RNA)
where:
Base-Base interactions energy: -859.715
where: short stacking energy: -360.941
Base-Backbone interact. energy: 0.134
local terms energy: -428.642076
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -94.738
flat angles C4'-P-C4' energy: -89.803
flat angles P-C4'-P energy: -71.864
tors. eta vs tors. theta energy: -82.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -991.911432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.911432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.911432 (E_RNA)
where:
Base-Base interactions energy: -627.538
where: short stacking energy: -293.970
Base-Backbone interact. energy: -0.156
local terms energy: -364.217381
where:
bonds (distance) C4'-P energy: -70.198
bonds (distance) P-C4' energy: -97.228
flat angles C4'-P-C4' energy: -85.915
flat angles P-C4'-P energy: -57.240
tors. eta vs tors. theta energy: -53.636
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: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -752.894050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.894050 (E_RNA)
where:
Base-Base interactions energy: -419.143
where: short stacking energy: -225.331
Base-Backbone interact. energy: 1.064
local terms energy: -334.814833
where:
bonds (distance) C4'-P energy: -94.979
bonds (distance) P-C4' energy: -86.114
flat angles C4'-P-C4' energy: -79.851
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1962.734819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.734819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.734819 (E_RNA)
where:
Base-Base interactions energy: -1395.469
where: short stacking energy: -545.190
Base-Backbone interact. energy: -0.588
local terms energy: -566.677422
where:
bonds (distance) C4'-P energy: -104.708
bonds (distance) P-C4' energy: -114.008
flat angles C4'-P-C4' energy: -119.379
flat angles P-C4'-P energy: -77.697
tors. eta vs tors. theta energy: -150.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1874.533809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.533809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.533809 (E_RNA)
where:
Base-Base interactions energy: -1320.715
where: short stacking energy: -527.526
Base-Backbone interact. energy: -4.356
local terms energy: -549.463207
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -108.154
flat angles C4'-P-C4' energy: -120.468
flat angles P-C4'-P energy: -70.782
tors. eta vs tors. theta energy: -147.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1825.906650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.906650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.906650 (E_RNA)
where:
Base-Base interactions energy: -1294.125
where: short stacking energy: -526.327
Base-Backbone interact. energy: -1.180
local terms energy: -530.602051
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -101.470
flat angles C4'-P-C4' energy: -110.144
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -141.567
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: 479
Temperature: 1.050000
Total energy: -1720.936056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.936056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.936056 (E_RNA)
where:
Base-Base interactions energy: -1213.077
where: short stacking energy: -519.973
Base-Backbone interact. energy: -3.706
local terms energy: -504.153307
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -87.671
flat angles C4'-P-C4' energy: -115.999
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -138.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1622.945372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.945372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.945372 (E_RNA)
where:
Base-Base interactions energy: -1139.606
where: short stacking energy: -456.751
Base-Backbone interact. energy: -1.100
local terms energy: -482.239699
where:
bonds (distance) C4'-P energy: -86.712
bonds (distance) P-C4' energy: -106.744
flat angles C4'-P-C4' energy: -111.313
flat angles P-C4'-P energy: -64.636
tors. eta vs tors. theta energy: -112.833
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: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1614.536912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.536912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.536912 (E_RNA)
where:
Base-Base interactions energy: -1126.184
where: short stacking energy: -469.044
Base-Backbone interact. energy: -0.024
local terms energy: -488.328996
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -95.103
flat angles C4'-P-C4' energy: -101.025
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -122.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1309.718885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.718885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.718885 (E_RNA)
where:
Base-Base interactions energy: -851.640
where: short stacking energy: -376.599
Base-Backbone interact. energy: -0.176
local terms energy: -457.903686
where:
bonds (distance) C4'-P energy: -100.138
bonds (distance) P-C4' energy: -102.062
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -65.098
tors. eta vs tors. theta energy: -92.964
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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1297.533096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.533096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.533096 (E_RNA)
where:
Base-Base interactions energy: -899.422
where: short stacking energy: -372.430
Base-Backbone interact. energy: 3.339
local terms energy: -401.449790
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -80.238
flat angles C4'-P-C4' energy: -86.813
flat angles P-C4'-P energy: -64.699
tors. eta vs tors. theta energy: -77.346
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: 479
Temperature: 1.300000
Total energy: -967.925155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.925155 (E_RNA)
where:
Base-Base interactions energy: -613.780
where: short stacking energy: -270.940
Base-Backbone interact. energy: 3.171
local terms energy: -357.316503
where:
bonds (distance) C4'-P energy: -86.121
bonds (distance) P-C4' energy: -105.692
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -49.759
tors. eta vs tors. theta energy: -39.851
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: 479
Temperature: 1.350000
Total energy: -711.916892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.916892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.916892 (E_RNA)
where:
Base-Base interactions energy: -399.151
where: short stacking energy: -205.713
Base-Backbone interact. energy: -1.584
local terms energy: -311.181277
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -83.249
flat angles C4'-P-C4' energy: -87.308
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -19.846
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: 480
Temperature: 0.900000
Total energy: -1953.208564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.208564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.208564 (E_RNA)
where:
Base-Base interactions energy: -1383.463
where: short stacking energy: -560.664
Base-Backbone interact. energy: -3.572
local terms energy: -566.173677
where:
bonds (distance) C4'-P energy: -103.831
bonds (distance) P-C4' energy: -99.410
flat angles C4'-P-C4' energy: -120.667
flat angles P-C4'-P energy: -92.708
tors. eta vs tors. theta energy: -149.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1884.743425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.743425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.743425 (E_RNA)
where:
Base-Base interactions energy: -1342.953
where: short stacking energy: -543.411
Base-Backbone interact. energy: -3.666
local terms energy: -538.123960
where:
bonds (distance) C4'-P energy: -95.247
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -123.729
flat angles P-C4'-P energy: -72.291
tors. eta vs tors. theta energy: -138.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1825.991837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.991837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.991837 (E_RNA)
where:
Base-Base interactions energy: -1301.578
where: short stacking energy: -527.714
Base-Backbone interact. energy: -2.684
local terms energy: -521.729457
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -107.906
flat angles C4'-P-C4' energy: -109.519
flat angles P-C4'-P energy: -72.641
tors. eta vs tors. theta energy: -138.668
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: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1707.794736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.794736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.794736 (E_RNA)
where:
Base-Base interactions energy: -1179.321
where: short stacking energy: -504.178
Base-Backbone interact. energy: -3.863
local terms energy: -524.611221
where:
bonds (distance) C4'-P energy: -94.652
bonds (distance) P-C4' energy: -102.424
flat angles C4'-P-C4' energy: -119.274
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -134.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1597.600653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.600653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.600653 (E_RNA)
where:
Base-Base interactions energy: -1109.605
where: short stacking energy: -483.776
Base-Backbone interact. energy: -2.708
local terms energy: -485.288142
where:
bonds (distance) C4'-P energy: -90.301
bonds (distance) P-C4' energy: -94.323
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -69.214
tors. eta vs tors. theta energy: -122.844
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: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1603.198571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.198571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.198571 (E_RNA)
where:
Base-Base interactions energy: -1114.248
where: short stacking energy: -441.690
Base-Backbone interact. energy: -4.285
local terms energy: -484.665262
where:
bonds (distance) C4'-P energy: -99.043
bonds (distance) P-C4' energy: -97.922
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -109.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1343.732443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.732443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.732443 (E_RNA)
where:
Base-Base interactions energy: -922.221
where: short stacking energy: -381.986
Base-Backbone interact. energy: -1.183
local terms energy: -420.328124
where:
bonds (distance) C4'-P energy: -75.459
bonds (distance) P-C4' energy: -95.011
flat angles C4'-P-C4' energy: -111.692
flat angles P-C4'-P energy: -54.199
tors. eta vs tors. theta energy: -83.966
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: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1260.916922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.916922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.916922 (E_RNA)
where:
Base-Base interactions energy: -865.071
where: short stacking energy: -383.976
Base-Backbone interact. energy: 5.227
local terms energy: -401.072517
where:
bonds (distance) C4'-P energy: -91.945
bonds (distance) P-C4' energy: -94.520
flat angles C4'-P-C4' energy: -92.208
flat angles P-C4'-P energy: -43.990
tors. eta vs tors. theta energy: -78.410
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: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1043.353002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.353002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.353002 (E_RNA)
where:
Base-Base interactions energy: -666.307
where: short stacking energy: -307.338
Base-Backbone interact. energy: -1.501
local terms energy: -375.545168
where:
bonds (distance) C4'-P energy: -78.651
bonds (distance) P-C4' energy: -85.494
flat angles C4'-P-C4' energy: -100.731
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: -56.466
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: 480
Temperature: 1.350000
Total energy: -760.124302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.124302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.124302 (E_RNA)
where:
Base-Base interactions energy: -442.666
where: short stacking energy: -226.393
Base-Backbone interact. energy: 1.344
local terms energy: -318.801392
where:
bonds (distance) C4'-P energy: -86.468
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -82.987
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -25.581
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: 481
Temperature: 0.900000
Total energy: -1940.515336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.515336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.515336 (E_RNA)
where:
Base-Base interactions energy: -1380.091
where: short stacking energy: -550.857
Base-Backbone interact. energy: -0.047
local terms energy: -560.377055
where:
bonds (distance) C4'-P energy: -95.630
bonds (distance) P-C4' energy: -101.942
flat angles C4'-P-C4' energy: -126.911
flat angles P-C4'-P energy: -92.989
tors. eta vs tors. theta energy: -142.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1896.953893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.953893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.953893 (E_RNA)
where:
Base-Base interactions energy: -1349.074
where: short stacking energy: -549.040
Base-Backbone interact. energy: -4.765
local terms energy: -543.115126
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -112.542
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -152.145
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: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1848.563662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.563662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.563662 (E_RNA)
where:
Base-Base interactions energy: -1302.320
where: short stacking energy: -544.375
Base-Backbone interact. energy: 1.090
local terms energy: -547.333986
where:
bonds (distance) C4'-P energy: -102.242
bonds (distance) P-C4' energy: -100.057
flat angles C4'-P-C4' energy: -108.126
flat angles P-C4'-P energy: -87.112
tors. eta vs tors. theta energy: -149.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1724.359539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.359539 (E_RNA)
where:
Base-Base interactions energy: -1215.977
where: short stacking energy: -510.905
Base-Backbone interact. energy: -0.587
local terms energy: -507.796207
where:
bonds (distance) C4'-P energy: -85.474
bonds (distance) P-C4' energy: -101.447
flat angles C4'-P-C4' energy: -107.682
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: -137.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1592.793830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.793830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.793830 (E_RNA)
where:
Base-Base interactions energy: -1095.237
where: short stacking energy: -486.352
Base-Backbone interact. energy: 1.070
local terms energy: -498.627215
where:
bonds (distance) C4'-P energy: -107.090
bonds (distance) P-C4' energy: -106.426
flat angles C4'-P-C4' energy: -91.897
flat angles P-C4'-P energy: -69.050
tors. eta vs tors. theta energy: -124.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1601.500212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.500212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.500212 (E_RNA)
where:
Base-Base interactions energy: -1097.545
where: short stacking energy: -469.378
Base-Backbone interact. energy: -5.498
local terms energy: -498.457207
where:
bonds (distance) C4'-P energy: -96.567
bonds (distance) P-C4' energy: -94.104
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -130.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1366.313381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.313381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.313381 (E_RNA)
where:
Base-Base interactions energy: -916.243
where: short stacking energy: -382.749
Base-Backbone interact. energy: 3.164
local terms energy: -453.234454
where:
bonds (distance) C4'-P energy: -93.961
bonds (distance) P-C4' energy: -95.121
flat angles C4'-P-C4' energy: -102.831
flat angles P-C4'-P energy: -72.553
tors. eta vs tors. theta energy: -88.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1292.476629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.476629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.476629 (E_RNA)
where:
Base-Base interactions energy: -857.101
where: short stacking energy: -368.265
Base-Backbone interact. energy: -0.241
local terms energy: -435.134982
where:
bonds (distance) C4'-P energy: -81.854
bonds (distance) P-C4' energy: -92.320
flat angles C4'-P-C4' energy: -107.638
flat angles P-C4'-P energy: -68.984
tors. eta vs tors. theta energy: -84.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1010.408540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.408540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.408540 (E_RNA)
where:
Base-Base interactions energy: -663.141
where: short stacking energy: -298.559
Base-Backbone interact. energy: 2.395
local terms energy: -349.663031
where:
bonds (distance) C4'-P energy: -79.633
bonds (distance) P-C4' energy: -82.451
flat angles C4'-P-C4' energy: -84.483
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -54.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -819.103270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.103270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.103270 (E_RNA)
where:
Base-Base interactions energy: -474.714
where: short stacking energy: -239.087
Base-Backbone interact. energy: 1.499
local terms energy: -345.888596
where:
bonds (distance) C4'-P energy: -86.180
bonds (distance) P-C4' energy: -93.646
flat angles C4'-P-C4' energy: -81.794
flat angles P-C4'-P energy: -47.936
tors. eta vs tors. theta energy: -36.332
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: 482
Temperature: 0.900000
Total energy: -1951.194861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.194861 (E_RNA)
where:
Base-Base interactions energy: -1372.308
where: short stacking energy: -559.592
Base-Backbone interact. energy: -4.878
local terms energy: -574.008543
where:
bonds (distance) C4'-P energy: -99.744
bonds (distance) P-C4' energy: -118.726
flat angles C4'-P-C4' energy: -120.951
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -154.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1876.692733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.692733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.692733 (E_RNA)
where:
Base-Base interactions energy: -1336.903
where: short stacking energy: -533.182
Base-Backbone interact. energy: -0.768
local terms energy: -539.021038
where:
bonds (distance) C4'-P energy: -93.605
bonds (distance) P-C4' energy: -103.639
flat angles C4'-P-C4' energy: -131.736
flat angles P-C4'-P energy: -75.759
tors. eta vs tors. theta energy: -134.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1811.440214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.440214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.440214 (E_RNA)
where:
Base-Base interactions energy: -1285.250
where: short stacking energy: -525.118
Base-Backbone interact. energy: -3.306
local terms energy: -522.884745
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -115.814
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -134.351
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: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1706.599809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.599809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.599809 (E_RNA)
where:
Base-Base interactions energy: -1190.099
where: short stacking energy: -506.104
Base-Backbone interact. energy: 2.491
local terms energy: -518.992423
where:
bonds (distance) C4'-P energy: -99.463
bonds (distance) P-C4' energy: -98.343
flat angles C4'-P-C4' energy: -116.437
flat angles P-C4'-P energy: -68.968
tors. eta vs tors. theta energy: -135.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1595.955320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.955320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.955320 (E_RNA)
where:
Base-Base interactions energy: -1109.741
where: short stacking energy: -456.249
Base-Backbone interact. energy: -1.781
local terms energy: -484.433325
where:
bonds (distance) C4'-P energy: -101.678
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -76.866
tors. eta vs tors. theta energy: -121.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1598.785887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.785887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.785887 (E_RNA)
where:
Base-Base interactions energy: -1118.997
where: short stacking energy: -476.398
Base-Backbone interact. energy: 0.891
local terms energy: -480.679606
where:
bonds (distance) C4'-P energy: -88.342
bonds (distance) P-C4' energy: -92.390
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -123.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1348.233016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.233016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.233016 (E_RNA)
where:
Base-Base interactions energy: -908.562
where: short stacking energy: -387.172
Base-Backbone interact. energy: -3.784
local terms energy: -435.886431
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -81.946
flat angles C4'-P-C4' energy: -104.136
flat angles P-C4'-P energy: -64.785
tors. eta vs tors. theta energy: -87.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1285.052232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.052232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.052232 (E_RNA)
where:
Base-Base interactions energy: -855.361
where: short stacking energy: -358.026
Base-Backbone interact. energy: -0.089
local terms energy: -429.601818
where:
bonds (distance) C4'-P energy: -101.404
bonds (distance) P-C4' energy: -82.196
flat angles C4'-P-C4' energy: -91.167
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -95.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -992.970804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.970804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.970804 (E_RNA)
where:
Base-Base interactions energy: -657.210
where: short stacking energy: -311.458
Base-Backbone interact. energy: -2.115
local terms energy: -333.645698
where:
bonds (distance) C4'-P energy: -71.285
bonds (distance) P-C4' energy: -89.279
flat angles C4'-P-C4' energy: -91.159
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -35.121
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: 482
Temperature: 1.350000
Total energy: -768.184297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.184297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.184297 (E_RNA)
where:
Base-Base interactions energy: -439.340
where: short stacking energy: -216.393
Base-Backbone interact. energy: 1.479
local terms energy: -330.323627
where:
bonds (distance) C4'-P energy: -102.410
bonds (distance) P-C4' energy: -82.137
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1949.991953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.991953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.991953 (E_RNA)
where:
Base-Base interactions energy: -1379.740
where: short stacking energy: -568.094
Base-Backbone interact. energy: -3.119
local terms energy: -567.132764
where:
bonds (distance) C4'-P energy: -109.634
bonds (distance) P-C4' energy: -102.850
flat angles C4'-P-C4' energy: -120.778
flat angles P-C4'-P energy: -83.043
tors. eta vs tors. theta energy: -150.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1900.467225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.467225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.467225 (E_RNA)
where:
Base-Base interactions energy: -1348.835
where: short stacking energy: -551.980
Base-Backbone interact. energy: -3.819
local terms energy: -547.813312
where:
bonds (distance) C4'-P energy: -102.906
bonds (distance) P-C4' energy: -100.597
flat angles C4'-P-C4' energy: -127.164
flat angles P-C4'-P energy: -81.069
tors. eta vs tors. theta energy: -136.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1783.659428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.659428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.659428 (E_RNA)
where:
Base-Base interactions energy: -1245.284
where: short stacking energy: -513.842
Base-Backbone interact. energy: -1.910
local terms energy: -536.466371
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -109.948
flat angles C4'-P-C4' energy: -105.850
flat angles P-C4'-P energy: -88.062
tors. eta vs tors. theta energy: -139.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1709.448546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.448546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.448546 (E_RNA)
where:
Base-Base interactions energy: -1198.098
where: short stacking energy: -490.447
Base-Backbone interact. energy: 0.823
local terms energy: -512.173387
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -72.683
tors. eta vs tors. theta energy: -124.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1619.630607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.630607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.630607 (E_RNA)
where:
Base-Base interactions energy: -1117.435
where: short stacking energy: -491.827
Base-Backbone interact. energy: 1.780
local terms energy: -503.975521
where:
bonds (distance) C4'-P energy: -98.872
bonds (distance) P-C4' energy: -90.418
flat angles C4'-P-C4' energy: -114.204
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -129.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1592.646403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.646403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.646403 (E_RNA)
where:
Base-Base interactions energy: -1110.988
where: short stacking energy: -456.660
Base-Backbone interact. energy: 0.674
local terms energy: -482.331905
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -105.640
flat angles C4'-P-C4' energy: -102.719
flat angles P-C4'-P energy: -65.280
tors. eta vs tors. theta energy: -117.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1341.025269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.025269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.025269 (E_RNA)
where:
Base-Base interactions energy: -897.466
where: short stacking energy: -373.962
Base-Backbone interact. energy: -0.132
local terms energy: -443.427499
where:
bonds (distance) C4'-P energy: -104.867
bonds (distance) P-C4' energy: -89.405
flat angles C4'-P-C4' energy: -95.993
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -89.890
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: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1214.242621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.242621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.242621 (E_RNA)
where:
Base-Base interactions energy: -808.779
where: short stacking energy: -337.882
Base-Backbone interact. energy: -0.522
local terms energy: -404.941867
where:
bonds (distance) C4'-P energy: -78.362
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -64.250
tors. eta vs tors. theta energy: -63.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -983.247347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.247347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.247347 (E_RNA)
where:
Base-Base interactions energy: -614.331
where: short stacking energy: -302.880
Base-Backbone interact. energy: -0.867
local terms energy: -368.049650
where:
bonds (distance) C4'-P energy: -80.828
bonds (distance) P-C4' energy: -79.763
flat angles C4'-P-C4' energy: -94.684
flat angles P-C4'-P energy: -61.667
tors. eta vs tors. theta energy: -51.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -693.326590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.326590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.326590 (E_RNA)
where:
Base-Base interactions energy: -399.158
where: short stacking energy: -206.507
Base-Backbone interact. energy: 2.341
local terms energy: -296.509847
where:
bonds (distance) C4'-P energy: -88.123
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -48.794
flat angles P-C4'-P energy: -48.225
tors. eta vs tors. theta energy: -13.840
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: 484
Temperature: 0.900000
Total energy: -1937.397759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.397759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.397759 (E_RNA)
where:
Base-Base interactions energy: -1378.362
where: short stacking energy: -551.295
Base-Backbone interact. energy: -5.587
local terms energy: -553.449129
where:
bonds (distance) C4'-P energy: -95.050
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -121.515
flat angles P-C4'-P energy: -86.754
tors. eta vs tors. theta energy: -149.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1918.758653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.758653 (E_RNA)
where:
Base-Base interactions energy: -1365.064
where: short stacking energy: -564.883
Base-Backbone interact. energy: -2.959
local terms energy: -550.736004
where:
bonds (distance) C4'-P energy: -103.316
bonds (distance) P-C4' energy: -116.653
flat angles C4'-P-C4' energy: -111.535
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: -150.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1755.953826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.953826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.953826 (E_RNA)
where:
Base-Base interactions energy: -1217.998
where: short stacking energy: -518.293
Base-Backbone interact. energy: -3.264
local terms energy: -534.691957
where:
bonds (distance) C4'-P energy: -98.353
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -117.338
flat angles P-C4'-P energy: -84.061
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: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1734.333697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.333697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.333697 (E_RNA)
where:
Base-Base interactions energy: -1225.262
where: short stacking energy: -504.552
Base-Backbone interact. energy: -0.559
local terms energy: -508.511993
where:
bonds (distance) C4'-P energy: -95.684
bonds (distance) P-C4' energy: -95.761
flat angles C4'-P-C4' energy: -117.339
flat angles P-C4'-P energy: -67.475
tors. eta vs tors. theta energy: -132.253
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: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1571.851536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.851536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.851536 (E_RNA)
where:
Base-Base interactions energy: -1112.176
where: short stacking energy: -472.695
Base-Backbone interact. energy: 1.071
local terms energy: -460.746448
where:
bonds (distance) C4'-P energy: -85.821
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -113.848
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -109.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1632.164760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.164760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.164760 (E_RNA)
where:
Base-Base interactions energy: -1167.660
where: short stacking energy: -460.188
Base-Backbone interact. energy: -0.018
local terms energy: -464.486478
where:
bonds (distance) C4'-P energy: -84.783
bonds (distance) P-C4' energy: -99.078
flat angles C4'-P-C4' energy: -95.462
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -119.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1376.073557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.073557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.073557 (E_RNA)
where:
Base-Base interactions energy: -935.120
where: short stacking energy: -397.213
Base-Backbone interact. energy: 0.541
local terms energy: -441.494730
where:
bonds (distance) C4'-P energy: -82.898
bonds (distance) P-C4' energy: -103.086
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -92.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1238.717107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.717107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.717107 (E_RNA)
where:
Base-Base interactions energy: -826.455
where: short stacking energy: -350.044
Base-Backbone interact. energy: -1.657
local terms energy: -410.605051
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -94.547
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: -80.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -975.378038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.378038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.378038 (E_RNA)
where:
Base-Base interactions energy: -609.667
where: short stacking energy: -253.959
Base-Backbone interact. energy: -3.035
local terms energy: -362.675354
where:
bonds (distance) C4'-P energy: -87.924
bonds (distance) P-C4' energy: -86.453
flat angles C4'-P-C4' energy: -96.746
flat angles P-C4'-P energy: -51.333
tors. eta vs tors. theta energy: -40.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -684.096612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.096612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.096612 (E_RNA)
where:
Base-Base interactions energy: -389.870
where: short stacking energy: -188.127
Base-Backbone interact. energy: -0.826
local terms energy: -293.400066
where:
bonds (distance) C4'-P energy: -77.070
bonds (distance) P-C4' energy: -84.715
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -61.564
tors. eta vs tors. theta energy: 5.299
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: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1960.369069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.369069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.369069 (E_RNA)
where:
Base-Base interactions energy: -1393.856
where: short stacking energy: -566.579
Base-Backbone interact. energy: -1.719
local terms energy: -564.794442
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -107.598
flat angles C4'-P-C4' energy: -118.874
flat angles P-C4'-P energy: -84.374
tors. eta vs tors. theta energy: -150.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1868.254237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.254237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.254237 (E_RNA)
where:
Base-Base interactions energy: -1338.534
where: short stacking energy: -536.992
Base-Backbone interact. energy: 0.396
local terms energy: -530.116834
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -106.149
flat angles C4'-P-C4' energy: -106.916
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: -142.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1791.241177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.241177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.241177 (E_RNA)
where:
Base-Base interactions energy: -1250.265
where: short stacking energy: -522.217
Base-Backbone interact. energy: -2.532
local terms energy: -538.444463
where:
bonds (distance) C4'-P energy: -95.257
bonds (distance) P-C4' energy: -106.680
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: -141.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1719.957985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.957985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.957985 (E_RNA)
where:
Base-Base interactions energy: -1207.391
where: short stacking energy: -501.148
Base-Backbone interact. energy: 5.437
local terms energy: -518.004817
where:
bonds (distance) C4'-P energy: -94.277
bonds (distance) P-C4' energy: -108.443
flat angles C4'-P-C4' energy: -113.238
flat angles P-C4'-P energy: -66.320
tors. eta vs tors. theta energy: -135.728
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: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1616.779975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.779975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.779975 (E_RNA)
where:
Base-Base interactions energy: -1124.373
where: short stacking energy: -477.087
Base-Backbone interact. energy: -2.266
local terms energy: -490.141091
where:
bonds (distance) C4'-P energy: -82.657
bonds (distance) P-C4' energy: -105.936
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -74.926
tors. eta vs tors. theta energy: -116.579
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: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1619.682011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.682011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.682011 (E_RNA)
where:
Base-Base interactions energy: -1139.399
where: short stacking energy: -476.152
Base-Backbone interact. energy: -1.978
local terms energy: -478.304961
where:
bonds (distance) C4'-P energy: -90.763
bonds (distance) P-C4' energy: -112.899
flat angles C4'-P-C4' energy: -88.787
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -115.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1368.118961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.118961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.118961 (E_RNA)
where:
Base-Base interactions energy: -939.502
where: short stacking energy: -400.445
Base-Backbone interact. energy: -1.224
local terms energy: -427.393902
where:
bonds (distance) C4'-P energy: -89.890
bonds (distance) P-C4' energy: -86.905
flat angles C4'-P-C4' energy: -101.583
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -87.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1310.367090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.367090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.367090 (E_RNA)
where:
Base-Base interactions energy: -884.237
where: short stacking energy: -390.204
Base-Backbone interact. energy: -1.030
local terms energy: -425.100381
where:
bonds (distance) C4'-P energy: -87.072
bonds (distance) P-C4' energy: -77.296
flat angles C4'-P-C4' energy: -110.509
flat angles P-C4'-P energy: -54.889
tors. eta vs tors. theta energy: -95.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -958.505533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.505533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.505533 (E_RNA)
where:
Base-Base interactions energy: -598.860
where: short stacking energy: -262.354
Base-Backbone interact. energy: 4.666
local terms energy: -364.310811
where:
bonds (distance) C4'-P energy: -81.526
bonds (distance) P-C4' energy: -110.025
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -37.689
tors. eta vs tors. theta energy: -34.216
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: 485
Temperature: 1.350000
Total energy: -680.052493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.052493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.052493 (E_RNA)
where:
Base-Base interactions energy: -385.124
where: short stacking energy: -196.832
Base-Backbone interact. energy: 2.489
local terms energy: -297.417490
where:
bonds (distance) C4'-P energy: -86.116
bonds (distance) P-C4' energy: -85.308
flat angles C4'-P-C4' energy: -70.521
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -14.567
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: 486
Temperature: 0.900000
Total energy: -1945.725579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.725579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.725579 (E_RNA)
where:
Base-Base interactions energy: -1366.258
where: short stacking energy: -546.341
Base-Backbone interact. energy: -3.583
local terms energy: -575.884595
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -112.221
flat angles C4'-P-C4' energy: -130.038
flat angles P-C4'-P energy: -86.468
tors. eta vs tors. theta energy: -145.519
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: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1865.924324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.924324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.924324 (E_RNA)
where:
Base-Base interactions energy: -1317.120
where: short stacking energy: -539.549
Base-Backbone interact. energy: -7.249
local terms energy: -541.555487
where:
bonds (distance) C4'-P energy: -91.265
bonds (distance) P-C4' energy: -103.981
flat angles C4'-P-C4' energy: -125.329
flat angles P-C4'-P energy: -77.804
tors. eta vs tors. theta energy: -143.176
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: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1776.552105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.552105 (E_RNA)
where:
Base-Base interactions energy: -1257.653
where: short stacking energy: -517.227
Base-Backbone interact. energy: 1.711
local terms energy: -520.609443
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -87.853
flat angles C4'-P-C4' energy: -105.898
flat angles P-C4'-P energy: -73.255
tors. eta vs tors. theta energy: -144.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1689.291764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.291764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.291764 (E_RNA)
where:
Base-Base interactions energy: -1179.637
where: short stacking energy: -496.431
Base-Backbone interact. energy: -3.475
local terms energy: -506.179819
where:
bonds (distance) C4'-P energy: -95.170
bonds (distance) P-C4' energy: -97.477
flat angles C4'-P-C4' energy: -116.800
flat angles P-C4'-P energy: -83.202
tors. eta vs tors. theta energy: -113.530
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1612.234561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.234561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.234561 (E_RNA)
where:
Base-Base interactions energy: -1121.590
where: short stacking energy: -488.674
Base-Backbone interact. energy: -0.819
local terms energy: -489.825667
where:
bonds (distance) C4'-P energy: -93.027
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -107.882
flat angles P-C4'-P energy: -70.886
tors. eta vs tors. theta energy: -127.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1588.104831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.104831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.104831 (E_RNA)
where:
Base-Base interactions energy: -1115.876
where: short stacking energy: -448.876
Base-Backbone interact. energy: 1.753
local terms energy: -473.981518
where:
bonds (distance) C4'-P energy: -95.582
bonds (distance) P-C4' energy: -107.202
flat angles C4'-P-C4' energy: -95.749
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -106.120
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: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1411.743696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.743696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.743696 (E_RNA)
where:
Base-Base interactions energy: -999.637
where: short stacking energy: -423.416
Base-Backbone interact. energy: -6.298
local terms energy: -405.808397
where:
bonds (distance) C4'-P energy: -76.763
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -85.687
flat angles P-C4'-P energy: -60.673
tors. eta vs tors. theta energy: -87.216
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: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1271.046267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.046267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.046267 (E_RNA)
where:
Base-Base interactions energy: -839.154
where: short stacking energy: -374.779
Base-Backbone interact. energy: -2.815
local terms energy: -429.077288
where:
bonds (distance) C4'-P energy: -80.196
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -93.057
flat angles P-C4'-P energy: -68.100
tors. eta vs tors. theta energy: -89.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -979.327461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.327461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.327461 (E_RNA)
where:
Base-Base interactions energy: -619.162
where: short stacking energy: -259.709
Base-Backbone interact. energy: -0.142
local terms energy: -360.023620
where:
bonds (distance) C4'-P energy: -101.854
bonds (distance) P-C4' energy: -93.768
flat angles C4'-P-C4' energy: -83.318
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -46.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -706.475203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.475203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.475203 (E_RNA)
where:
Base-Base interactions energy: -359.695
where: short stacking energy: -183.234
Base-Backbone interact. energy: -2.772
local terms energy: -344.008766
where:
bonds (distance) C4'-P energy: -96.227
bonds (distance) P-C4' energy: -90.723
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -53.101
tors. eta vs tors. theta energy: -15.607
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: 487
Temperature: 0.900000
Total energy: -1945.936488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.936488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.936488 (E_RNA)
where:
Base-Base interactions energy: -1393.563
where: short stacking energy: -559.355
Base-Backbone interact. energy: -3.827
local terms energy: -548.545913
where:
bonds (distance) C4'-P energy: -101.126
bonds (distance) P-C4' energy: -111.382
flat angles C4'-P-C4' energy: -122.013
flat angles P-C4'-P energy: -71.882
tors. eta vs tors. theta energy: -142.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1911.453849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.453849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.453849 (E_RNA)
where:
Base-Base interactions energy: -1371.188
where: short stacking energy: -547.811
Base-Backbone interact. energy: -0.708
local terms energy: -539.558449
where:
bonds (distance) C4'-P energy: -100.446
bonds (distance) P-C4' energy: -106.332
flat angles C4'-P-C4' energy: -121.087
flat angles P-C4'-P energy: -69.743
tors. eta vs tors. theta energy: -141.950
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: 487
Temperature: 1.000000
Total energy: -1800.725912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.725912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.725912 (E_RNA)
where:
Base-Base interactions energy: -1256.518
where: short stacking energy: -522.502
Base-Backbone interact. energy: 4.737
local terms energy: -548.945831
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -112.938
flat angles C4'-P-C4' energy: -113.735
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -141.694
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: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1704.744978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.744978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.744978 (E_RNA)
where:
Base-Base interactions energy: -1182.340
where: short stacking energy: -497.234
Base-Backbone interact. energy: -3.300
local terms energy: -519.105030
where:
bonds (distance) C4'-P energy: -85.237
bonds (distance) P-C4' energy: -114.054
flat angles C4'-P-C4' energy: -108.695
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -132.151
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: 487
Temperature: 1.100000
Total energy: -1590.972508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.972508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.972508 (E_RNA)
where:
Base-Base interactions energy: -1116.056
where: short stacking energy: -466.802
Base-Backbone interact. energy: -1.749
local terms energy: -473.167137
where:
bonds (distance) C4'-P energy: -95.626
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -112.285
flat angles P-C4'-P energy: -60.120
tors. eta vs tors. theta energy: -112.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1610.644184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.644184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.644184 (E_RNA)
where:
Base-Base interactions energy: -1117.847
where: short stacking energy: -469.197
Base-Backbone interact. energy: -2.556
local terms energy: -490.240899
where:
bonds (distance) C4'-P energy: -79.570
bonds (distance) P-C4' energy: -91.565
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -78.974
tors. eta vs tors. theta energy: -125.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1372.912185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.912185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.912185 (E_RNA)
where:
Base-Base interactions energy: -941.565
where: short stacking energy: -393.377
Base-Backbone interact. energy: -2.066
local terms energy: -429.281736
where:
bonds (distance) C4'-P energy: -90.113
bonds (distance) P-C4' energy: -95.810
flat angles C4'-P-C4' energy: -86.099
flat angles P-C4'-P energy: -71.193
tors. eta vs tors. theta energy: -86.067
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: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1311.819260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.819260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.819260 (E_RNA)
where:
Base-Base interactions energy: -907.628
where: short stacking energy: -406.098
Base-Backbone interact. energy: -0.307
local terms energy: -403.883980
where:
bonds (distance) C4'-P energy: -71.409
bonds (distance) P-C4' energy: -66.935
flat angles C4'-P-C4' energy: -92.561
flat angles P-C4'-P energy: -68.190
tors. eta vs tors. theta energy: -104.789
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: 487
Temperature: 1.300000
Total energy: -1016.307007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.307007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.307007 (E_RNA)
where:
Base-Base interactions energy: -652.730
where: short stacking energy: -290.495
Base-Backbone interact. energy: 1.069
local terms energy: -364.645445
where:
bonds (distance) C4'-P energy: -79.158
bonds (distance) P-C4' energy: -105.797
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -36.656
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: 487
Temperature: 1.350000
Total energy: -728.869787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.869787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.869787 (E_RNA)
where:
Base-Base interactions energy: -405.360
where: short stacking energy: -205.143
Base-Backbone interact. energy: -0.179
local terms energy: -323.330027
where:
bonds (distance) C4'-P energy: -91.765
bonds (distance) P-C4' energy: -101.547
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -57.122
tors. eta vs tors. theta energy: -11.934
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: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1919.386900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.386900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.386900 (E_RNA)
where:
Base-Base interactions energy: -1348.936
where: short stacking energy: -528.063
Base-Backbone interact. energy: -3.911
local terms energy: -566.539900
where:
bonds (distance) C4'-P energy: -108.166
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -125.667
flat angles P-C4'-P energy: -86.662
tors. eta vs tors. theta energy: -133.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1891.839065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.839065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.839065 (E_RNA)
where:
Base-Base interactions energy: -1332.820
where: short stacking energy: -541.449
Base-Backbone interact. energy: -2.679
local terms energy: -556.340249
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -105.535
flat angles C4'-P-C4' energy: -122.309
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -141.422
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1746.931908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.931908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.931908 (E_RNA)
where:
Base-Base interactions energy: -1243.325
where: short stacking energy: -517.916
Base-Backbone interact. energy: 0.671
local terms energy: -504.278278
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -114.624
flat angles C4'-P-C4' energy: -112.379
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -135.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1725.399807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.399807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.399807 (E_RNA)
where:
Base-Base interactions energy: -1205.275
where: short stacking energy: -478.444
Base-Backbone interact. energy: -4.109
local terms energy: -516.015725
where:
bonds (distance) C4'-P energy: -101.364
bonds (distance) P-C4' energy: -95.464
flat angles C4'-P-C4' energy: -99.227
flat angles P-C4'-P energy: -89.487
tors. eta vs tors. theta energy: -130.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1651.650096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.650096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.650096 (E_RNA)
where:
Base-Base interactions energy: -1176.099
where: short stacking energy: -477.666
Base-Backbone interact. energy: -2.033
local terms energy: -473.518034
where:
bonds (distance) C4'-P energy: -81.538
bonds (distance) P-C4' energy: -99.651
flat angles C4'-P-C4' energy: -108.950
flat angles P-C4'-P energy: -68.775
tors. eta vs tors. theta energy: -114.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1539.618441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.618441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.618441 (E_RNA)
where:
Base-Base interactions energy: -1084.971
where: short stacking energy: -473.155
Base-Backbone interact. energy: 0.405
local terms energy: -455.052003
where:
bonds (distance) C4'-P energy: -76.720
bonds (distance) P-C4' energy: -93.009
flat angles C4'-P-C4' energy: -102.588
flat angles P-C4'-P energy: -59.442
tors. eta vs tors. theta energy: -123.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1373.464762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.464762 (E_RNA)
where:
Base-Base interactions energy: -943.801
where: short stacking energy: -388.704
Base-Backbone interact. energy: 0.160
local terms energy: -429.823687
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -78.890
flat angles C4'-P-C4' energy: -106.768
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -88.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1275.610253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.610253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.610253 (E_RNA)
where:
Base-Base interactions energy: -872.374
where: short stacking energy: -375.241
Base-Backbone interact. energy: -0.308
local terms energy: -402.929152
where:
bonds (distance) C4'-P energy: -86.688
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -97.533
flat angles P-C4'-P energy: -63.978
tors. eta vs tors. theta energy: -70.822
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: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1105.895865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.895865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.895865 (E_RNA)
where:
Base-Base interactions energy: -717.711
where: short stacking energy: -317.031
Base-Backbone interact. energy: -1.162
local terms energy: -387.022950
where:
bonds (distance) C4'-P energy: -88.977
bonds (distance) P-C4' energy: -95.150
flat angles C4'-P-C4' energy: -80.448
flat angles P-C4'-P energy: -62.410
tors. eta vs tors. theta energy: -60.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -700.277361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.277361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.277361 (E_RNA)
where:
Base-Base interactions energy: -408.618
where: short stacking energy: -204.766
Base-Backbone interact. energy: 5.701
local terms energy: -297.360889
where:
bonds (distance) C4'-P energy: -75.549
bonds (distance) P-C4' energy: -82.276
flat angles C4'-P-C4' energy: -76.944
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1916.945083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.945083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.945083 (E_RNA)
where:
Base-Base interactions energy: -1356.391
where: short stacking energy: -540.137
Base-Backbone interact. energy: -5.105
local terms energy: -555.449579
where:
bonds (distance) C4'-P energy: -90.724
bonds (distance) P-C4' energy: -116.603
flat angles C4'-P-C4' energy: -121.368
flat angles P-C4'-P energy: -87.061
tors. eta vs tors. theta energy: -139.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1880.625450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.625450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.625450 (E_RNA)
where:
Base-Base interactions energy: -1347.677
where: short stacking energy: -518.125
Base-Backbone interact. energy: -0.289
local terms energy: -532.659555
where:
bonds (distance) C4'-P energy: -96.639
bonds (distance) P-C4' energy: -98.391
flat angles C4'-P-C4' energy: -118.475
flat angles P-C4'-P energy: -79.380
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: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1779.308332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.308332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.308332 (E_RNA)
where:
Base-Base interactions energy: -1258.786
where: short stacking energy: -525.870
Base-Backbone interact. energy: -2.474
local terms energy: -518.048542
where:
bonds (distance) C4'-P energy: -93.923
bonds (distance) P-C4' energy: -90.101
flat angles C4'-P-C4' energy: -115.424
flat angles P-C4'-P energy: -69.237
tors. eta vs tors. theta energy: -149.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1693.900091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.900091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.900091 (E_RNA)
where:
Base-Base interactions energy: -1197.595
where: short stacking energy: -485.650
Base-Backbone interact. energy: -2.748
local terms energy: -493.557585
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -93.798
flat angles C4'-P-C4' energy: -106.162
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -117.963
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: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1673.122415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.122415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.122415 (E_RNA)
where:
Base-Base interactions energy: -1165.830
where: short stacking energy: -477.895
Base-Backbone interact. energy: -1.295
local terms energy: -505.998175
where:
bonds (distance) C4'-P energy: -105.326
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -109.918
flat angles P-C4'-P energy: -76.251
tors. eta vs tors. theta energy: -116.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1515.451292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.451292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.451292 (E_RNA)
where:
Base-Base interactions energy: -1034.294
where: short stacking energy: -425.559
Base-Backbone interact. energy: 1.173
local terms energy: -482.330613
where:
bonds (distance) C4'-P energy: -102.350
bonds (distance) P-C4' energy: -96.424
flat angles C4'-P-C4' energy: -110.344
flat angles P-C4'-P energy: -68.637
tors. eta vs tors. theta energy: -104.577
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: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1386.524771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.524771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.524771 (E_RNA)
where:
Base-Base interactions energy: -942.133
where: short stacking energy: -390.811
Base-Backbone interact. energy: -2.264
local terms energy: -442.128169
where:
bonds (distance) C4'-P energy: -93.960
bonds (distance) P-C4' energy: -92.538
flat angles C4'-P-C4' energy: -94.013
flat angles P-C4'-P energy: -67.720
tors. eta vs tors. theta energy: -93.897
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: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1267.696181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.696181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.696181 (E_RNA)
where:
Base-Base interactions energy: -845.433
where: short stacking energy: -354.418
Base-Backbone interact. energy: -2.159
local terms energy: -420.104083
where:
bonds (distance) C4'-P energy: -101.961
bonds (distance) P-C4' energy: -87.424
flat angles C4'-P-C4' energy: -89.976
flat angles P-C4'-P energy: -69.195
tors. eta vs tors. theta energy: -71.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1105.161068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.161068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.161068 (E_RNA)
where:
Base-Base interactions energy: -703.494
where: short stacking energy: -326.503
Base-Backbone interact. energy: 2.642
local terms energy: -404.308464
where:
bonds (distance) C4'-P energy: -94.857
bonds (distance) P-C4' energy: -91.163
flat angles C4'-P-C4' energy: -88.867
flat angles P-C4'-P energy: -65.595
tors. eta vs tors. theta energy: -63.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -714.488659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.488659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.488659 (E_RNA)
where:
Base-Base interactions energy: -412.522
where: short stacking energy: -218.216
Base-Backbone interact. energy: -1.783
local terms energy: -300.183872
where:
bonds (distance) C4'-P energy: -95.049
bonds (distance) P-C4' energy: -81.712
flat angles C4'-P-C4' energy: -75.471
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1933.969404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.969404 (E_RNA)
where:
Base-Base interactions energy: -1375.923
where: short stacking energy: -552.059
Base-Backbone interact. energy: -4.116
local terms energy: -553.929626
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -101.597
flat angles C4'-P-C4' energy: -125.763
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -140.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1892.717823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.717823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.717823 (E_RNA)
where:
Base-Base interactions energy: -1335.767
where: short stacking energy: -526.471
Base-Backbone interact. energy: -3.270
local terms energy: -553.680473
where:
bonds (distance) C4'-P energy: -103.639
bonds (distance) P-C4' energy: -107.825
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -81.016
tors. eta vs tors. theta energy: -138.533
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1775.423660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.423660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.423660 (E_RNA)
where:
Base-Base interactions energy: -1223.036
where: short stacking energy: -532.638
Base-Backbone interact. energy: -1.436
local terms energy: -550.951479
where:
bonds (distance) C4'-P energy: -115.818
bonds (distance) P-C4' energy: -102.792
flat angles C4'-P-C4' energy: -118.083
flat angles P-C4'-P energy: -71.203
tors. eta vs tors. theta energy: -143.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1719.233433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.233433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.233433 (E_RNA)
where:
Base-Base interactions energy: -1211.512
where: short stacking energy: -496.649
Base-Backbone interact. energy: -0.607
local terms energy: -507.114749
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -105.184
flat angles P-C4'-P energy: -63.012
tors. eta vs tors. theta energy: -129.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1587.816477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.816477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.816477 (E_RNA)
where:
Base-Base interactions energy: -1106.152
where: short stacking energy: -462.128
Base-Backbone interact. energy: -2.016
local terms energy: -479.648367
where:
bonds (distance) C4'-P energy: -87.579
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -108.765
flat angles P-C4'-P energy: -76.952
tors. eta vs tors. theta energy: -115.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1567.821008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.821008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.821008 (E_RNA)
where:
Base-Base interactions energy: -1110.361
where: short stacking energy: -457.225
Base-Backbone interact. energy: 0.393
local terms energy: -457.852659
where:
bonds (distance) C4'-P energy: -94.836
bonds (distance) P-C4' energy: -85.894
flat angles C4'-P-C4' energy: -101.005
flat angles P-C4'-P energy: -60.423
tors. eta vs tors. theta energy: -115.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1327.771824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.771824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.771824 (E_RNA)
where:
Base-Base interactions energy: -881.986
where: short stacking energy: -407.271
Base-Backbone interact. energy: -1.437
local terms energy: -444.348264
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -97.697
flat angles C4'-P-C4' energy: -97.157
flat angles P-C4'-P energy: -61.360
tors. eta vs tors. theta energy: -98.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1278.648886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.648886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.648886 (E_RNA)
where:
Base-Base interactions energy: -889.341
where: short stacking energy: -369.103
Base-Backbone interact. energy: 0.305
local terms energy: -389.613301
where:
bonds (distance) C4'-P energy: -80.713
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -97.140
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -81.874
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: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1082.077652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.077652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.077652 (E_RNA)
where:
Base-Base interactions energy: -709.657
where: short stacking energy: -326.647
Base-Backbone interact. energy: 1.288
local terms energy: -373.708467
where:
bonds (distance) C4'-P energy: -69.982
bonds (distance) P-C4' energy: -76.465
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -755.726955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.726955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.726955 (E_RNA)
where:
Base-Base interactions energy: -434.571
where: short stacking energy: -216.418
Base-Backbone interact. energy: -1.157
local terms energy: -319.998774
where:
bonds (distance) C4'-P energy: -70.895
bonds (distance) P-C4' energy: -79.291
flat angles C4'-P-C4' energy: -109.028
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -15.113
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)
out arg RESULTS//1/Denv4_dominio2_RNAco-0e688fbb_01
DONE
DONE
DONE
DONE